N-[(4-methylphenyl)methyl]cyclopentanecarboxamide

C14H19NO — CID 844446

IUPACN-[(4-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-6-8-12(9-7-11)10-15-14(16)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,15,16)
InChIKeyABOHAZFZTUGION-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.80
Rot. Bonds3

About N-[(4-methylphenyl)methyl]cyclopentanecarboxamide

N-[(4-methylphenyl)methyl]cyclopentanecarboxamide (PubChem CID 844446) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]cyclopentanecarboxamide
PubChem CID844446
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(4-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-6-8-12(9-7-11)10-15-14(16)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,15,16)
InChIKeyABOHAZFZTUGION-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]cyclopentanecarboxamide (CID 844446) is N-[(4-methylphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]cyclopentanecarboxamide is Cc1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is ABOHAZFZTUGION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-8-12(9-7-11)10-15-14(16)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,15,16).
What are the key properties of N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
N-[(4-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-[(4-methylphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 844446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).