N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide

C17H25NO — CID 6467211

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H25NO/c1-12(2)14-8-10-15(11-9-14)13(3)18-17(19)16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H,18,19)
InChIKeyLQHLCGFJOMBLIM-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.18
Rot. Bonds4

About N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide

N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide (PubChem CID 6467211) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
PubChem CID6467211
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H25NO/c1-12(2)14-8-10-15(11-9-14)13(3)18-17(19)16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H,18,19)
InChIKeyLQHLCGFJOMBLIM-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide (CID 6467211) is N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide is CC(C)c1ccc(C(C)NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is LQHLCGFJOMBLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)14-8-10-15(11-9-14)13(3)18-17(19)16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide?
N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 259.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 6467211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).