4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid

C28H38N2O4 — CID 155548580

IUPAC4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid
SMILESCCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C28H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-26(31)30-25-16-14-13-15-24(25)27(32)29-23-20-18-22(19-21-23)28(33)34/h13-16,18-21H,2-12,17H2,1H3,(H,29,32)(H,30,31)(H,33,34)
InChIKeyQNQGNDLLODMEJG-UHFFFAOYSA-N
MW466.62 g/mol
LogP7.28
Rot. Bonds16

About 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid

4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid (PubChem CID 155548580) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid
PubChem CID155548580
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC Name4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid
SMILESCCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C28H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-26(31)30-25-16-14-13-15-24(25)27(32)29-23-20-18-22(19-21-23)28(33)34/h13-16,18-21H,2-12,17H2,1H3,(H,29,32)(H,30,31)(H,33,34)
InChIKeyQNQGNDLLODMEJG-UHFFFAOYSA-N
XLogP7.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 57.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic 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

4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
2-[[4-(hexanoylamino)benzoyl]amino]benzoic acid
CID 3756720
2-(hexacosanoylamino)benzoic acid
CID 123304158
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
2-(butanoylamino)-N-phenylbenzamide
CID 676008
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
2-[[3-(2-heptadecanoylhydrazinyl)-3-oxopropanoyl]amino]benzoic acid
CID 25113731
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid (CID 155548580) is 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid is CCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid?
The InChIKey is QNQGNDLLODMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-26(31)30-25-16-14-13-15-24(25)27(32)29-23-20-18-22(19-21-23)28(33)34/h13-16,18-21H,2-12,17H2,1H3,(H,29,32)(H,30,31)(H,33,34).
What are the key properties of 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid?
4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid has a molecular weight of 466.62 g/mol, XLogP of 7.28, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 155548580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).