N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride

C21H27ClN2O2 — CID 119496644

IUPACN-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CC1c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15(22)11-12-23-21(24)20-13-19(20)17-7-9-18(10-8-17)25-14-16-5-3-2-4-6-16;/h2-10,15,19-20H,11-14,22H2,1H3,(H,23,24);1H
InChIKeyWXAZJWSUWVJHFV-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.64
Rot. Bonds8

About N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride

N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119496644) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119496644
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CC1c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-15(22)11-12-23-21(24)20-13-19(20)17-7-9-18(10-8-17)25-14-16-5-3-2-4-6-16;/h2-10,15,19-20H,11-14,22H2,1H3,(H,23,24);1H
InChIKeyWXAZJWSUWVJHFV-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride 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-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 119435721
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119496644) is N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride is CC(N)CCNC(=O)C1CC1c1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WXAZJWSUWVJHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-15(22)11-12-23-21(24)20-13-19(20)17-7-9-18(10-8-17)25-14-16-5-3-2-4-6-16;/h2-10,15,19-20H,11-14,22H2,1H3,(H,23,24);1H.
What are the key properties of N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119496644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).