N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide

C16H24N2O2 — CID 106123073

IUPACN-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
SMILESNC1CCCC(CNC(=O)CCOc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12,17H2,(H,18,19)
InChIKeyXADNHZFYYLGJTR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.09
Rot. Bonds6

About N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide

N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide (PubChem CID 106123073) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
PubChem CID106123073
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
SMILESNC1CCCC(CNC(=O)CCOc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12,17H2,(H,18,19)
InChIKeyXADNHZFYYLGJTR-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide 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-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
CID 106131941
N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide
CID 106123778
N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
CID 114147724
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107411017
1-cyclobutyl-4-phenoxybutan-2-one
CID 65458336
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
CID 103280339
3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279901
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide (CID 106123073) is N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide is NC1CCCC(CNC(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide?
The InChIKey is XADNHZFYYLGJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12,17H2,(H,18,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide?
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 106123073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).