N-(2,4-dimethylphenyl)cyclopentanecarboxamide

C14H19NO — CID 887219

IUPACN-(2,4-dimethylphenyl)cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-10-7-8-13(11(2)9-10)15-14(16)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyMMHPMNNRVCTFFZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.43
Rot. Bonds2

About N-(2,4-dimethylphenyl)cyclopentanecarboxamide

N-(2,4-dimethylphenyl)cyclopentanecarboxamide (PubChem CID 887219) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)cyclopentanecarboxamide
PubChem CID887219
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2,4-dimethylphenyl)cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-10-7-8-13(11(2)9-10)15-14(16)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyMMHPMNNRVCTFFZ-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)cyclopentanecarboxamide (CID 887219) is N-(2,4-dimethylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)cyclopentanecarboxamide is Cc1ccc(NC(=O)C2CCCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)cyclopentanecarboxamide?
The InChIKey is MMHPMNNRVCTFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-8-13(11(2)9-10)15-14(16)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(2,4-dimethylphenyl)cyclopentanecarboxamide?
N-(2,4-dimethylphenyl)cyclopentanecarboxamide has a molecular weight of 217.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 887219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).