2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide

C25H41NO3 — CID 11997099

IUPAC2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide
SMILESCCCCCCCC/C=C/CCCCCCCNC(=O)Cc1cc(O)ccc1O
InChIInChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-25(29)21-22-20-23(27)17-18-24(22)28/h9-10,17-18,20,27-28H,2-8,11-16,19,21H2,1H3,(H,26,29)/b10-9+
InChIKeyYKWBVNITUJIIKC-MDZDMXLPSA-N
MW403.61 g/mol
LogP6.40
Rot. Bonds17

About 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide

2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide (PubChem CID 11997099) has the molecular formula C25H41NO3 and a molecular weight of 403.61 g/mol. Its IUPAC name is 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide
PubChem CID11997099
Molecular FormulaC25H41NO3
Molecular Weight403.61 g/mol
Exact Mass403.31
IUPAC Name2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide
SMILESCCCCCCCC/C=C/CCCCCCCNC(=O)Cc1cc(O)ccc1O
InChIInChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-25(29)21-22-20-23(27)17-18-24(22)28/h9-10,17-18,20,27-28H,2-8,11-16,19,21H2,1H3,(H,26,29)/b10-9+
InChIKeyYKWBVNITUJIIKC-MDZDMXLPSA-N
XLogP6.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide 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

N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
CID 15131759
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide
CID 53394478
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-dodecyldocos-13-enamide
CID 87733981
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide?
The IUPAC name of 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide (CID 11997099) is 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide.
What is the SMILES notation for 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide?
The canonical SMILES for 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide is CCCCCCCC/C=C/CCCCCCCNC(=O)Cc1cc(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide?
The InChIKey is YKWBVNITUJIIKC-MDZDMXLPSA-N. The full InChI is InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-25(29)21-22-20-23(27)17-18-24(22)28/h9-10,17-18,20,27-28H,2-8,11-16,19,21H2,1H3,(H,26,29)/b10-9+.
What are the key properties of 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide?
2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide has a molecular weight of 403.61 g/mol, XLogP of 6.40, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide is sourced from PubChem (CID 11997099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).