5-(4-hydroxyanilino)tridecanoic acid

C19H31NO3 — CID 139938501

IUPAC5-(4-hydroxyanilino)tridecanoic acid
SMILESCCCCCCCCC(CCCC(=O)O)Nc1ccc(O)cc1
InChIInChI=1S/C19H31NO3/c1-2-3-4-5-6-7-9-16(10-8-11-19(22)23)20-17-12-14-18(21)15-13-17/h12-16,20-21H,2-11H2,1H3,(H,22,23)
InChIKeyKMAQDNKWPGHUHR-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.18
Rot. Bonds13

About 5-(4-hydroxyanilino)tridecanoic acid

5-(4-hydroxyanilino)tridecanoic acid (PubChem CID 139938501) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 5-(4-hydroxyanilino)tridecanoic acid.

Molecular Properties

Compound Name5-(4-hydroxyanilino)tridecanoic acid
PubChem CID139938501
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name5-(4-hydroxyanilino)tridecanoic acid
SMILESCCCCCCCCC(CCCC(=O)O)Nc1ccc(O)cc1
InChIInChI=1S/C19H31NO3/c1-2-3-4-5-6-7-9-16(10-8-11-19(22)23)20-17-12-14-18(21)15-13-17/h12-16,20-21H,2-11H2,1H3,(H,22,23)
InChIKeyKMAQDNKWPGHUHR-UHFFFAOYSA-N
XLogP5.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.18
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'}

Analyze 5-(4-hydroxyanilino)tridecanoic acid 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

8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
N-tridecan-6-ylaniline
CID 151143089
(9R,10S)-10-anilino-9-hydroxyoctadecanoic acid
CID 98129974
5,6-dihydroxyoctadecanoic acid
CID 5282926
4-aminophenol;dodecanoic acid
CID 157063847
calcium;hydride;octadecanoic acid;phenol
CID 173411979
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
1-(4-hydroxyphenyl)-3-octatriacontan-2-ylurea
CID 70999279
(2S)-2-anilinooctan-1-ol
CID 135056963
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
5-hydroxyhexadecanoic acid
CID 5312761
(5R,6E,9Z,11R)-5,7,9,11-tetramethyloctadeca-6,9-dienoic acid
CID 176732801

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyanilino)tridecanoic acid?
The IUPAC name of 5-(4-hydroxyanilino)tridecanoic acid (CID 139938501) is 5-(4-hydroxyanilino)tridecanoic acid.
What is the SMILES notation for 5-(4-hydroxyanilino)tridecanoic acid?
The canonical SMILES for 5-(4-hydroxyanilino)tridecanoic acid is CCCCCCCCC(CCCC(=O)O)Nc1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyanilino)tridecanoic acid?
The InChIKey is KMAQDNKWPGHUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-9-16(10-8-11-19(22)23)20-17-12-14-18(21)15-13-17/h12-16,20-21H,2-11H2,1H3,(H,22,23).
What are the key properties of 5-(4-hydroxyanilino)tridecanoic acid?
5-(4-hydroxyanilino)tridecanoic acid has a molecular weight of 321.46 g/mol, XLogP of 5.18, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyanilino)tridecanoic acid is sourced from PubChem (CID 139938501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).