4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid

C21H19NO4 — CID 174840347

IUPAC4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccccc1NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C21H19NO4/c23-19-13-16-8-2-1-7-15(16)12-17(19)21(26)22-18-10-4-3-6-14(18)9-5-11-20(24)25/h1-4,6-8,10,12-13,23H,5,9,11H2,(H,22,26)(H,24,25)
InChIKeyULVQACVRFKBYKI-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.20
Rot. Bonds6

About 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid

4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid (PubChem CID 174840347) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid
PubChem CID174840347
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccccc1NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C21H19NO4/c23-19-13-16-8-2-1-7-15(16)12-17(19)21(26)22-18-10-4-3-6-14(18)9-5-11-20(24)25/h1-4,6-8,10,12-13,23H,5,9,11H2,(H,22,26)(H,24,25)
InChIKeyULVQACVRFKBYKI-UHFFFAOYSA-N
XLogP4.20
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic 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

3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402819
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 19850925
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 107272392
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]phenyl]acetic acid
CID 62535909
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
CID 22081973
ethane;4-[2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 91562881
(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
CID 7789595
3-[2-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 107272419

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid?
The IUPAC name of 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid (CID 174840347) is 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid.
What is the SMILES notation for 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid?
The canonical SMILES for 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid is O=C(O)CCCc1ccccc1NC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid?
The InChIKey is ULVQACVRFKBYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-19-13-16-8-2-1-7-15(16)12-17(19)21(26)22-18-10-4-3-6-14(18)9-5-11-20(24)25/h1-4,6-8,10,12-13,23H,5,9,11H2,(H,22,26)(H,24,25).
What are the key properties of 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid?
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid has a molecular weight of 349.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]butanoic acid is sourced from PubChem (CID 174840347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).