N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide

C17H26N2O2 — CID 60725478

IUPACN-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide
SMILESCC(OC1CCCCC1C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-3-4-9-16(12)21-13(2)17(20)19-15-8-5-7-14(10-15)11-18/h5,7-8,10,12-13,16H,3-4,6,9,11,18H2,1-2H3,(H,19,20)
InChIKeyGMUUKWZSDXXBCM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.07
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide

N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide (PubChem CID 60725478) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide
PubChem CID60725478
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide
SMILESCC(OC1CCCCC1C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-3-4-9-16(12)21-13(2)17(20)19-15-8-5-7-14(10-15)11-18/h5,7-8,10,12-13,16H,3-4,6,9,11,18H2,1-2H3,(H,19,20)
InChIKeyGMUUKWZSDXXBCM-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
N-[3-(aminomethyl)phenyl]-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668137
N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide
CID 64730380
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 16793312
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 102961731
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
CID 120604549
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide (CID 60725478) is N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide is CC(OC1CCCCC1C)C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide?
The InChIKey is GMUUKWZSDXXBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-3-4-9-16(12)21-13(2)17(20)19-15-8-5-7-14(10-15)11-18/h5,7-8,10,12-13,16H,3-4,6,9,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide?
N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide is sourced from PubChem (CID 60725478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).