methyl 2-{3-[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]propanamido}-4-methylpentanoate

methyl 2-{3-[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]propanamido}-4-methylpentanoate

Formula: C19H26N2O6

SMILES: COC(=O)C(CC(C)C)NC(=O)CCC(=O)NCC1=CC=C2OCOC2=C1

IUPAC: methyl 2-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propanamido)-4-methylpentanoate

InChI: InChI=1/C19H26N2O6/c1-12(2)8-14(19(24)25-3)21-18(23)7-6-17(22)20-10-13-4-5-15-16(9-13)27-11-26-15/h4-5,9,12,14H,6-8,10-11H2,1-3H3,(H,20,22)(H,21,23)

Composition: C (60.30%), H (6.93%), N (7.40%), O (25.37%)

Molar Mass: 378.425

Atom Count: 53

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	378.179086565
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GRPDHMAKONXQEW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.38
Topological Polar Surface Area	102.96
Polarizability	38.15
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H26N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00