N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide

C16H23NO — CID 6465707

IUPACN-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)C2CCCC2)c1
InChIInChI=1S/C16H23NO/c1-11-8-9-12(2)15(10-11)13(3)17-16(18)14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H,17,18)
InChIKeyUQKNSTVJSIFTKO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide

N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide (PubChem CID 6465707) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
PubChem CID6465707
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)C2CCCC2)c1
InChIInChI=1S/C16H23NO/c1-11-8-9-12(2)15(10-11)13(3)17-16(18)14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H,17,18)
InChIKeyUQKNSTVJSIFTKO-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide (CID 6465707) is N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide is Cc1ccc(C)c(C(C)NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is UQKNSTVJSIFTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-8-9-12(2)15(10-11)13(3)17-16(18)14-6-4-5-7-14/h8-10,13-14H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 6465707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).