N-(3-amino-2-methylphenyl)-2-(3-methylphenoxy)butanamide

N-(3-amino-2-methylphenyl)-2-(3-methylphenoxy)butanamide

CAS: 1020056-18-1

Formula: C18H22N2O2

SMILES: CCC(OC1=CC(C)=CC=C1)C(=O)NC1=C(C)C(N)=CC=C1

IUPAC: N-(3-amino-2-methylphenyl)-2-(3-methylphenoxy)butanamide

InChI: InChI=1/C18H22N2O2/c1-4-17(22-14-8-5-7-12(2)11-14)18(21)20-16-10-6-9-15(19)13(16)3/h5-11,17H,4,19H2,1-3H3,(H,20,21)

Composition: C (72.46%), H (7.43%), N (9.39%), O (10.72%)

Molar Mass: 298.386

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	298.168127956
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PUXOJBGJSUVLTR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.68
Topological Polar Surface Area	64.35
Polarizability	33.83
Ring Count	2
Rotatable Bond Count	5

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