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

C18H18N2O5 — CID 17218177

IUPAC2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCOCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H18N2O5/c1-25-11-10-19-16(21)12-6-8-13(9-7-12)20-17(22)14-4-2-3-5-15(14)18(23)24/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyXXEJUQWLNZAXJA-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.01
Rot. Bonds7

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

2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 17218177) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID17218177
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
SMILESCOCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H18N2O5/c1-25-11-10-19-16(21)12-6-8-13(9-7-12)20-17(22)14-4-2-3-5-15(14)18(23)24/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyXXEJUQWLNZAXJA-UHFFFAOYSA-N
XLogP2.01
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 17204993
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
CID 121062109
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid (CID 17218177) is 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid is COCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is XXEJUQWLNZAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-25-11-10-19-16(21)12-6-8-13(9-7-12)20-17(22)14-4-2-3-5-15(14)18(23)24/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid?
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 342.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 17218177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).