N-benzylcyclopentanecarboxamide

C13H17NO — CID 835634

IUPACN-benzylcyclopentanecarboxamide
SMILESO=C(NCc1ccccc1)C1CCCC1
InChIInChI=1S/C13H17NO/c15-13(12-8-4-5-9-12)14-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,14,15)
InChIKeyNYEKJXFFMSUNGR-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.49
Rot. Bonds3

About N-benzylcyclopentanecarboxamide

N-benzylcyclopentanecarboxamide (PubChem CID 835634) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-benzylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzylcyclopentanecarboxamide
PubChem CID835634
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-benzylcyclopentanecarboxamide
SMILESO=C(NCc1ccccc1)C1CCCC1
InChIInChI=1S/C13H17NO/c15-13(12-8-4-5-9-12)14-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,14,15)
InChIKeyNYEKJXFFMSUNGR-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzylcyclobutanecarboxamide
CID 730128
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
N-benzylpiperidine-4-carboxamide
CID 3868064
N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
CID 20787052
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745

Frequently Asked Questions

What is the IUPAC name of N-benzylcyclopentanecarboxamide?
The IUPAC name of N-benzylcyclopentanecarboxamide (CID 835634) is N-benzylcyclopentanecarboxamide.
What is the SMILES notation for N-benzylcyclopentanecarboxamide?
The canonical SMILES for N-benzylcyclopentanecarboxamide is O=C(NCc1ccccc1)C1CCCC1.
What is the InChIKey of N-benzylcyclopentanecarboxamide?
The InChIKey is NYEKJXFFMSUNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13(12-8-4-5-9-12)14-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,14,15).
What are the key properties of N-benzylcyclopentanecarboxamide?
N-benzylcyclopentanecarboxamide has a molecular weight of 203.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcyclopentanecarboxamide is sourced from PubChem (CID 835634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).