N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide

C18H28N2O — CID 119568183

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-3-6-15-7-9-16(10-8-15)13-17(21)20-18(14-19)11-4-5-12-18/h7-10H,2-6,11-14,19H2,1H3,(H,20,21)
InChIKeyLRENXRFXJGQGIQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide

N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide (PubChem CID 119568183) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
PubChem CID119568183
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-3-6-15-7-9-16(10-8-15)13-17(21)20-18(14-19)11-4-5-12-18/h7-10H,2-6,11-14,19H2,1H3,(H,20,21)
InChIKeyLRENXRFXJGQGIQ-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119566852
N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
CID 119566013
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169
N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119565800
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 63767805
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide
CID 119568512
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide
CID 119568476
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide (CID 119568183) is N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide is CCCCc1ccc(CC(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
The InChIKey is LRENXRFXJGQGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-6-15-7-9-16(10-8-15)13-17(21)20-18(14-19)11-4-5-12-18/h7-10H,2-6,11-14,19H2,1H3,(H,20,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide is sourced from PubChem (CID 119568183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).