2-ethyl-6-methyl-4-[(3R,5S,7s)-adamantane-1-amido]pyridin-3-yl (3R,5S,7s)-adamantane-1-carboxylate

2-ethyl-6-methyl-4-[(3R,5S,7s)-adamantane-1-amido]pyridin-3-yl (3R,5S,7s)-adamantane-1-carboxylate

Formula: C30H40N2O3

SMILES: CCC1=NC(C)=CC(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)=C1OC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2

IUPAC: 2-ethyl-6-methyl-4-[(3R,5S,7s)-adamantane-1-amido]pyridin-3-yl (3R,5S,7s)-adamantane-1-carboxylate

InChI: InChI=1S/C30H40N2O3/c1-3-24-26(35-28(34)30-14-21-8-22(15-30)10-23(9-21)16-30)25(4-17(2)31-24)32-27(33)29-11-18-5-19(12-29)7-20(6-18)13-29/h4,18-23H,3,5-16H2,1-2H3,(H,31,32,33)/t18-,19+,20-,21-,22+,23-,29?,30?

Composition: C (75.59%), H (8.46%), N (5.88%), O (10.07%)

Molar Mass: 476.661

Atom Count: 75

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	476.303893156
Formal Charge	0
FSP3	0.77
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ITMCBJAQMJMNNC-FILKVNDTSA-N
Lipinski's Rule of Five
Molar Refractivity	135.2
Topological Polar Surface Area	68.29
Polarizability	52.89
Ring Count	7
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H40N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00