N-[(3-methylphenyl)methyl]cyclopentanecarboxamide

C14H19NO — CID 39985159

IUPACN-[(3-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1cccc(CNC(=O)C2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-11-5-4-6-12(9-11)10-15-14(16)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,15,16)
InChIKeyMZQNBIHAYNDKKL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.80
Rot. Bonds3

About N-[(3-methylphenyl)methyl]cyclopentanecarboxamide

N-[(3-methylphenyl)methyl]cyclopentanecarboxamide (PubChem CID 39985159) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]cyclopentanecarboxamide
PubChem CID39985159
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(3-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1cccc(CNC(=O)C2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-11-5-4-6-12(9-11)10-15-14(16)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,15,16)
InChIKeyMZQNBIHAYNDKKL-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
N-benzylcyclopentanecarboxamide
CID 835634
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]cyclopentanecarboxamide (CID 39985159) is N-[(3-methylphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]cyclopentanecarboxamide is Cc1cccc(CNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is MZQNBIHAYNDKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-4-6-12(9-11)10-15-14(16)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,15,16).
What are the key properties of N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 217.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 39985159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).