2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid

C13H15NO5 — CID 60662850

IUPAC2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
SMILESCOC(=O)CCCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H15NO5/c1-19-11(15)7-4-8-14-12(16)9-5-2-3-6-10(9)13(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRSUUORODNQGUBS-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.07
Rot. Bonds6

About 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid

2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid (PubChem CID 60662850) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
PubChem CID60662850
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
SMILESCOC(=O)CCCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H15NO5/c1-19-11(15)7-4-8-14-12(16)9-5-2-3-6-10(9)13(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRSUUORODNQGUBS-UHFFFAOYSA-N
XLogP1.07
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxy-4-oxobutyl)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

methyl 4-[(2-benzoylbenzoyl)amino]butanoate
CID 33234645
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
methyl 4-benzamidobutanoate
CID 13197711
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
methyl 4-[(2-benzylbenzoyl)amino]butanoate
CID 112794767
methyl 4-[[2-(aminomethyl)benzoyl]amino]butanoate
CID 82546914
sodium 6-[(2-carboxybenzoyl)amino]hexaneperoxoate
CID 87060906
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
CID 75436256
2-(4-methylsulfanylbutylcarbamoyl)benzoic acid
CID 113487285
2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
CID 174032259

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid (CID 60662850) is 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid is COC(=O)CCCNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid?
The InChIKey is RSUUORODNQGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-19-11(15)7-4-8-14-12(16)9-5-2-3-6-10(9)13(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid?
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid is sourced from PubChem (CID 60662850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).