2-(3,4-dihydroxyphenyl)-N-hexylpropanamide

C15H23NO3 — CID 67829900

IUPAC2-(3,4-dihydroxyphenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(C)c1ccc(O)c(O)c1
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-9-16-15(19)11(2)12-7-8-13(17)14(18)10-12/h7-8,10-11,17-18H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyNGZYMOFIBUQZHY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.90
Rot. Bonds7

About 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide

2-(3,4-dihydroxyphenyl)-N-hexylpropanamide (PubChem CID 67829900) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-hexylpropanamide
PubChem CID67829900
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3,4-dihydroxyphenyl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)C(C)c1ccc(O)c(O)c1
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-9-16-15(19)11(2)12-7-8-13(17)14(18)10-12/h7-8,10-11,17-18H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyNGZYMOFIBUQZHY-UHFFFAOYSA-N
XLogP2.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.90
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 2-(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

Related Compounds

2-(3,4-dihydroxyphenyl)-N-octylpropanamide
CID 139641564
2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304
[2-acetyloxy-4-[1-(octylamino)-1-oxopropan-2-yl]phenyl] acetate
CID 139641581
[2-acetyloxy-4-[1-(decylamino)-1-oxopropan-2-yl]phenyl] acetate
CID 139641573
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
N-butyl-2-phenylpropanamide
CID 101453557
octadecyl 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 88541512
2-methyl-2-[4-[1-oxo-1-(pentylamino)propan-2-yl]phenoxy]propanoic acid
CID 67636991
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
2-(3,4-dihydroxyphenyl)-N-phenylpropanamide
CID 19745950
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
N-dodecyl-2,2-diphenylacetamide
CID 5143289

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide (CID 67829900) is 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide is CCCCCCNC(=O)C(C)c1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
The InChIKey is NGZYMOFIBUQZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-5-6-9-16-15(19)11(2)12-7-8-13(17)14(18)10-12/h7-8,10-11,17-18H,3-6,9H2,1-2H3,(H,16,19).
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide?
2-(3,4-dihydroxyphenyl)-N-hexylpropanamide has a molecular weight of 265.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-hexylpropanamide is sourced from PubChem (CID 67829900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).