2-(N-heptanoyl-4-hydroxyanilino)acetic acid

C15H21NO4 — CID 60832829

IUPAC2-(N-heptanoyl-4-hydroxyanilino)acetic acid
SMILESCCCCCCC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-2-3-4-5-6-14(18)16(11-15(19)20)12-7-9-13(17)10-8-12/h7-10,17H,2-6,11H2,1H3,(H,19,20)
InChIKeyMMKIFPKXQVEUAW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.78
Rot. Bonds8

About 2-(N-heptanoyl-4-hydroxyanilino)acetic acid

2-(N-heptanoyl-4-hydroxyanilino)acetic acid (PubChem CID 60832829) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(N-heptanoyl-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-heptanoyl-4-hydroxyanilino)acetic acid
PubChem CID60832829
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(N-heptanoyl-4-hydroxyanilino)acetic acid
SMILESCCCCCCC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-2-3-4-5-6-14(18)16(11-15(19)20)12-7-9-13(17)10-8-12/h7-10,17H,2-6,11H2,1H3,(H,19,20)
InChIKeyMMKIFPKXQVEUAW-UHFFFAOYSA-N
XLogP2.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(N-heptanoyl-4-hydroxyanilino)acetic 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

2-(4-chloro-N-octanoylanilino)acetic acid
CID 60826659
2-[4-hydroxy-N-(3-methoxypropanoyl)anilino]acetic acid
CID 62590216
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(N-octanoylanilino)propanoic acid
CID 60831115
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-[N-(12-methoxydodecanoyl)anilino]acetic acid
CID 19611757
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
(2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;2-(N-pentadecanoylanilino)acetic acid
CID 68899658
4-aminophenol;dodecanoic acid
CID 157063847

Frequently Asked Questions

What is the IUPAC name of 2-(N-heptanoyl-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-heptanoyl-4-hydroxyanilino)acetic acid (CID 60832829) is 2-(N-heptanoyl-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-heptanoyl-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-heptanoyl-4-hydroxyanilino)acetic acid is CCCCCCC(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(N-heptanoyl-4-hydroxyanilino)acetic acid?
The InChIKey is MMKIFPKXQVEUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-3-4-5-6-14(18)16(11-15(19)20)12-7-9-13(17)10-8-12/h7-10,17H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 2-(N-heptanoyl-4-hydroxyanilino)acetic acid?
2-(N-heptanoyl-4-hydroxyanilino)acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-heptanoyl-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 60832829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).