3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide

C14H20N2O — CID 66033053

IUPAC3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C14H20N2O/c1-10-2-4-11(5-3-10)9-16-14(17)12-6-7-13(15)8-12/h2-5,12-13H,6-9,15H2,1H3,(H,16,17)
InChIKeyRMTXHHZHROZRSE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds3

About 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 66033053) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID66033053
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C14H20N2O/c1-10-2-4-11(5-3-10)9-16-14(17)12-6-7-13(15)8-12/h2-5,12-13H,6-9,15H2,1H3,(H,16,17)
InChIKeyRMTXHHZHROZRSE-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide (CID 66033053) is 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide is Cc1ccc(CNC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is RMTXHHZHROZRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-2-4-11(5-3-10)9-16-14(17)12-6-7-13(15)8-12/h2-5,12-13H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66033053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).