6-[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

6-[(2H-1,3-benzodioxol-5-ylmethyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Formula: C18H21NO5

SMILES: CC1=C(C)CC(C(C1)C(O)=O)C(=O)NCC1=CC=C2OCOC2=C1

IUPAC: 6-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

InChI: InChI=1/C18H21NO5/c1-10-5-13(14(18(21)22)6-11(10)2)17(20)19-8-12-3-4-15-16(7-12)24-9-23-15/h3-4,7,13-14H,5-6,8-9H2,1-2H3,(H,19,20)(H,21,22)

Composition: C (65.24%), H (6.39%), N (4.23%), O (24.14%)

Molar Mass: 331.368

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	331.14197278
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	VJGWBNMMVPDGAM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.86
Topological Polar Surface Area	84.86
Polarizability	33.84
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00