N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride

C16H23ClN2O2 — CID 119568158

IUPACN-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCC(=O)c2ccccc2)CCCC1
InChIInChI=1S/C16H22N2O2.ClH/c17-12-16(10-4-5-11-16)18-15(20)9-8-14(19)13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,17H2,(H,18,20);1H
InChIKeyFZMVEHXQGBVFAG-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.46
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride (PubChem CID 119568158) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride
PubChem CID119568158
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCC(=O)c2ccccc2)CCCC1
InChIInChI=1S/C16H22N2O2.ClH/c17-12-16(10-4-5-11-16)18-15(20)9-8-14(19)13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,17H2,(H,18,20);1H
InChIKeyFZMVEHXQGBVFAG-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
CID 119567292
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119567299
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119566853
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride (CID 119568158) is N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride is Cl.NCC1(NC(=O)CCC(=O)c2ccccc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride?
The InChIKey is FZMVEHXQGBVFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c17-12-16(10-4-5-11-16)18-15(20)9-8-14(19)13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12,17H2,(H,18,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119568158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).