N-(5-amino-2-methylphenyl)-4-(2-phenoxyethoxy)benzamide

N-(5-amino-2-methylphenyl)-4-(2-phenoxyethoxy)benzamide

CAS: 1020054-08-3

Formula: C22H22N2O3

SMILES: CC1=C(NC(=O)C2=CC=C(OCCOC3=CC=CC=C3)C=C2)C=C(N)C=C1

IUPAC: N-(5-amino-2-methylphenyl)-4-(2-phenoxyethoxy)benzamide

InChI: InChI=1S/C22H22N2O3/c1-16-7-10-18(23)15-21(16)24-22(25)17-8-11-20(12-9-17)27-14-13-26-19-5-3-2-4-6-19/h2-12,15H,13-14,23H2,1H3,(H,24,25)

Composition: C (72.91%), H (6.12%), N (7.73%), O (13.24%)

Molar Mass: 362.429

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	362.163042576
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XCNZZHNTGYWWGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.35
Topological Polar Surface Area	73.58
Polarizability	40.47
Ring Count	3
Rotatable Bond Count	7

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