3-cyclopentyl-N-(4-methoxyphenyl)propanamide

C15H21NO2 — CID 835546

IUPAC3-cyclopentyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-14-9-7-13(8-10-14)16-15(17)11-6-12-4-2-3-5-12/h7-10,12H,2-6,11H2,1H3,(H,16,17)
InChIKeyCTRJCUMXEAAMEV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.60
Rot. Bonds5

About 3-cyclopentyl-N-(4-methoxyphenyl)propanamide

3-cyclopentyl-N-(4-methoxyphenyl)propanamide (PubChem CID 835546) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-methoxyphenyl)propanamide
PubChem CID835546
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-cyclopentyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-18-14-9-7-13(8-10-14)16-15(17)11-6-12-4-2-3-5-12/h7-10,12H,2-6,11H2,1H3,(H,16,17)
InChIKeyCTRJCUMXEAAMEV-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(4-methoxyphenyl)propanamide (CID 835546) is 3-cyclopentyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCC2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is CTRJCUMXEAAMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-9-7-13(8-10-14)16-15(17)11-6-12-4-2-3-5-12/h7-10,12H,2-6,11H2,1H3,(H,16,17).
What are the key properties of 3-cyclopentyl-N-(4-methoxyphenyl)propanamide?
3-cyclopentyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 835546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).