2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid

C18H18N2O5 — CID 929530

IUPAC2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H18N2O5/c1-11(2)25-13-9-7-12(8-10-13)16(21)19-20-17(22)14-5-3-4-6-15(14)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyNMALZKQFHZSNPH-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.25
Rot. Bonds5

About 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid

2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid (PubChem CID 929530) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid
PubChem CID929530
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H18N2O5/c1-11(2)25-13-9-7-12(8-10-13)16(21)19-20-17(22)14-5-3-4-6-15(14)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyNMALZKQFHZSNPH-UHFFFAOYSA-N
XLogP2.25
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]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-(Benzyloxy)benzohydrazide
CID 1526486
Parp10/15-IN-3
CID 166597670
4-methoxy-N'-(phenylacetyl)benzohydrazide
CID 695069
2-[[3-(4-propan-2-yloxyphenyl)propanoylamino]carbamoyl]benzoic Acid
CID 1983514
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2488507
3-{[2-(3-Ethoxybenzoyl)hydrazino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3410896
3-{[2-(4-Butoxybenzoyl)hydrazino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 4569518
6-{[2-(3-Methoxybenzoyl)hydrazino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 4143902
4-((4-Methylbenzyl)oxy)benzohydrazide
CID 1490262
2-{[2-(4-Hydroxybenzoyl)hydrazino]carbonyl}benzoic acid
CID 681153
N'-(4-Methoxy-benzoyl)-hydrazinecarboxylic acid 4-methoxy-benzyl ester
CID 789951
2-{[2-(2-Methyl-3-furoyl)hydrazino]carbonyl}benzoic acid
CID 833083

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid (CID 929530) is 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid is CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid?
The InChIKey is NMALZKQFHZSNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(2)25-13-9-7-12(8-10-13)16(21)19-20-17(22)14-5-3-4-6-15(14)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid?
2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid has a molecular weight of 342.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzoic acid is sourced from PubChem (CID 929530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).