N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride

C16H25ClN2O2 — CID 119475599

IUPACN-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCOCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2.ClH/c17-14-6-8-15(9-7-14)18-16(19)10-11-20-12-13-4-2-1-3-5-13;/h1-5,14-15H,6-12,17H2,(H,18,19);1H
InChIKeyASOVXVNDYHTNSA-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.40
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride

N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride (PubChem CID 119475599) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
PubChem CID119475599
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCOCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2.ClH/c17-14-6-8-15(9-7-14)18-16(19)10-11-20-12-13-4-2-1-3-5-13;/h1-5,14-15H,6-12,17H2,(H,18,19);1H
InChIKeyASOVXVNDYHTNSA-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119477516
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]-3-phenylmethoxypropanamide
CID 70338458
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119474993
N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
CID 119610062
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
N-cyclopropyl-2-phenylacetamide
CID 5175687
benzyl 5-(cyclohexylamino)-2,5-dioxopentanoate
CID 134398280
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenylmethoxypropan-1-one;hydrochloride
CID 119410321
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
CID 49324541
N-[(1R,3R)-3-aminocyclopentyl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
CID 154890034

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride (CID 119475599) is N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride is Cl.NC1CCC(NC(=O)CCOCc2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride?
The InChIKey is ASOVXVNDYHTNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c17-14-6-8-15(9-7-14)18-16(19)10-11-20-12-13-4-2-1-3-5-13;/h1-5,14-15H,6-12,17H2,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride is sourced from PubChem (CID 119475599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).