3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide

C16H23NO3 — CID 976262

IUPAC3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-19-14-9-8-13(11-15(14)20-2)17-16(18)10-7-12-5-3-4-6-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyNSQMRKNQAKEJHP-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.61
Rot. Bonds6

About 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide

3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 976262) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID976262
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-19-14-9-8-13(11-15(14)20-2)17-16(18)10-7-12-5-3-4-6-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyNSQMRKNQAKEJHP-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide (CID 976262) is 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCC2CCCC2)cc1OC.
What is the InChIKey of 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is NSQMRKNQAKEJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-9-8-13(11-15(14)20-2)17-16(18)10-7-12-5-3-4-6-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide?
3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 277.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 976262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).