3-(3,4-dihydroxyphenyl)-N-hexylpropanamide

C15H23NO3 — CID 15132214

IUPAC3-(3,4-dihydroxyphenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-10-16-15(19)9-7-12-6-8-13(17)14(18)11-12/h6,8,11,17-18H,2-5,7,9-10H2,1H3,(H,16,19)
InChIKeyQGGLLPNYIBKEIP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.73
Rot. Bonds8

About 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide

3-(3,4-dihydroxyphenyl)-N-hexylpropanamide (PubChem CID 15132214) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-hexylpropanamide
PubChem CID15132214
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(3,4-dihydroxyphenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-10-16-15(19)9-7-12-6-8-13(17)14(18)11-12/h6,8,11,17-18H,2-5,7,9-10H2,1H3,(H,16,19)
InChIKeyQGGLLPNYIBKEIP-UHFFFAOYSA-N
XLogP2.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide (CID 15132214) is 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide is CCCCCCNC(=O)CCc1ccc(O)c(O)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
The InChIKey is QGGLLPNYIBKEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-5-10-16-15(19)9-7-12-6-8-13(17)14(18)11-12/h6,8,11,17-18H,2-5,7,9-10H2,1H3,(H,16,19).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
3-(3,4-dihydroxyphenyl)-N-hexylpropanamide has a molecular weight of 265.35 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-N-hexylpropanamide is sourced from PubChem (CID 15132214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).