N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride

C23H29ClN2O2 — CID 119566231

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC2c2ccc(OCc3ccccc3)cc2)CCCC1
InChIInChI=1S/C23H28N2O2.ClH/c24-16-23(12-4-5-13-23)25-22(26)21-14-20(21)18-8-10-19(11-9-18)27-15-17-6-2-1-3-7-17;/h1-3,6-11,20-21H,4-5,12-16,24H2,(H,25,26);1H
InChIKeyCGCGNEQQCGJQTR-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.18
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119566231) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119566231
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC2c2ccc(OCc3ccccc3)cc2)CCCC1
InChIInChI=1S/C23H28N2O2.ClH/c24-16-23(12-4-5-13-23)25-22(26)21-14-20(21)18-8-10-19(11-9-18)27-15-17-6-2-1-3-7-17;/h1-3,6-11,20-21H,4-5,12-16,24H2,(H,25,26);1H
InChIKeyCGCGNEQQCGJQTR-UHFFFAOYSA-N
XLogP4.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
CID 89492554
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119566596
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
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119566231) is N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NCC1(NC(=O)C2CC2c2ccc(OCc3ccccc3)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is CGCGNEQQCGJQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.ClH/c24-16-23(12-4-5-13-23)25-22(26)21-14-20(21)18-8-10-19(11-9-18)27-15-17-6-2-1-3-7-17;/h1-3,6-11,20-21H,4-5,12-16,24H2,(H,25,26);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119566231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).