3-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)formamido]propanoic acid

3-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)formamido]propanoic acid

CAS: 332052-73-0

Formula: C20H23NO7

SMILES: COC1=C(OC)C=C(C=C1)C(CC(O)=O)NC(=O)C1=CC(OC)=C(OC)C=C1

IUPAC: 3-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)formamido]propanoic acid

InChI: InChI=1/C20H23NO7/c1-25-15-7-5-12(9-17(15)27-3)14(11-19(22)23)21-20(24)13-6-8-16(26-2)18(10-13)28-4/h5-10,14H,11H2,1-4H3,(H,21,24)(H,22,23)

Composition: C (61.69%), H (5.95%), N (3.60%), O (28.76%)

Molar Mass: 389.404

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	389.147452085
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	FNNFAEUEMHYZNE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.95
Topological Polar Surface Area	103.32
Polarizability	38.94
Ring Count	2
Rotatable Bond Count	9

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