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

C18H28N2O — CID 119604897

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C18H28N2O/c1-2-3-5-14-8-10-15(11-9-14)12-18(21)20-17-7-4-6-16(17)13-19/h8-11,16-17H,2-7,12-13,19H2,1H3,(H,20,21)
InChIKeyNQDGPMCALFSDAD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.82
Rot. Bonds7

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

N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide (PubChem CID 119604897) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
PubChem CID119604897
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C18H28N2O/c1-2-3-5-14-8-10-15(11-9-14)12-18(21)20-17-7-4-6-16(17)13-19/h8-11,16-17H,2-7,12-13,19H2,1H3,(H,20,21)
InChIKeyNQDGPMCALFSDAD-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119600531
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103774443
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103860544
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119602045
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119601816
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119601815

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide (CID 119604897) is N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide is CCCCc1ccc(CC(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
The InChIKey is NQDGPMCALFSDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-5-14-8-10-15(11-9-14)12-18(21)20-17-7-4-6-16(17)13-19/h8-11,16-17H,2-7,12-13,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide is sourced from PubChem (CID 119604897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).