2,3-bis(tetradecanoylamino)benzoic acid

C35H60N2O4 — CID 154111832

IUPAC2,3-bis(tetradecanoylamino)benzoic acid
SMILESCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C35H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-32(38)36-31-27-25-26-30(35(40)41)34(31)37-33(39)29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24,28-29H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)
InChIKeyGJGZJSQETAEBDR-UHFFFAOYSA-N
MW572.88 g/mol
LogP10.66
Rot. Bonds27

About 2,3-bis(tetradecanoylamino)benzoic acid

2,3-bis(tetradecanoylamino)benzoic acid (PubChem CID 154111832) has the molecular formula C35H60N2O4 and a molecular weight of 572.88 g/mol. Its IUPAC name is 2,3-bis(tetradecanoylamino)benzoic acid.

Molecular Properties

Compound Name2,3-bis(tetradecanoylamino)benzoic acid
PubChem CID154111832
Molecular FormulaC35H60N2O4
Molecular Weight572.88 g/mol
Exact Mass572.46
IUPAC Name2,3-bis(tetradecanoylamino)benzoic acid
SMILESCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C35H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-32(38)36-31-27-25-26-30(35(40)41)34(31)37-33(39)29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24,28-29H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)
InChIKeyGJGZJSQETAEBDR-UHFFFAOYSA-N
XLogP10.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.88
LogP ≤ 510.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-bis(tetradecanoylamino)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

2-(hexacosanoylamino)benzoic acid
CID 123304158
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
3-bromo-2-(nonanoylamino)benzoic acid
CID 63405626
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965
2-chloro-3-(hexanoylamino)benzoic acid
CID 58066004
3-acetamido-2-(nonanoylamino)benzamide
CID 175824940
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
2-[[3-(2-heptadecanoylhydrazinyl)-3-oxopropanoyl]amino]benzoic acid
CID 25113731
1-(dodecanoylamino)naphthalene-2-carboxylic acid
CID 21470620
2,3-bis[(2-iodoacetyl)amino]benzoic acid
CID 18363669
N-naphthalen-1-yldodecanamide
CID 588517

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(tetradecanoylamino)benzoic acid?
The IUPAC name of 2,3-bis(tetradecanoylamino)benzoic acid (CID 154111832) is 2,3-bis(tetradecanoylamino)benzoic acid.
What is the SMILES notation for 2,3-bis(tetradecanoylamino)benzoic acid?
The canonical SMILES for 2,3-bis(tetradecanoylamino)benzoic acid is CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1NC(=O)CCCCCCCCCCCCC.
What is the InChIKey of 2,3-bis(tetradecanoylamino)benzoic acid?
The InChIKey is GJGZJSQETAEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-32(38)36-31-27-25-26-30(35(40)41)34(31)37-33(39)29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24,28-29H2,1-2H3,(H,36,38)(H,37,39)(H,40,41).
What are the key properties of 2,3-bis(tetradecanoylamino)benzoic acid?
2,3-bis(tetradecanoylamino)benzoic acid has a molecular weight of 572.88 g/mol, XLogP of 10.66, 27 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(tetradecanoylamino)benzoic acid is sourced from PubChem (CID 154111832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).