2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid

C19H20N2O4 — CID 17195127

IUPAC2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H20N2O4/c1-2-3-12-20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19(24)25/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyDHQKECVYJOEHGR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.17
Rot. Bonds7

About 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid

2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 17195127) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID17195127
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCCCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H20N2O4/c1-2-3-12-20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19(24)25/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyDHQKECVYJOEHGR-UHFFFAOYSA-N
XLogP3.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
5-(butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid
CID 22626158
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
N-butyl-4-phenylbenzamide
CID 3637649

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid (CID 17195127) is 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid is CCCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is DHQKECVYJOEHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-3-12-20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19(24)25/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid?
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 17195127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).