4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid

C16H16N2O4 — CID 108874268

IUPAC4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
SMILESCCOc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-14-9-7-13(8-10-14)18-16(21)17-12-5-3-11(4-6-12)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLNWSRPRXBFZHOO-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.43
Rot. Bonds5

About 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid

4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid (PubChem CID 108874268) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
PubChem CID108874268
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
SMILESCCOc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-22-14-9-7-13(8-10-14)18-16(21)17-12-5-3-11(4-6-12)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLNWSRPRXBFZHOO-UHFFFAOYSA-N
XLogP3.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
4-[[(4-ethoxyphenyl)carbamothioylamino]methyl]benzoic acid
CID 17284489
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid (CID 108874268) is 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid is CCOc1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid?
The InChIKey is LNWSRPRXBFZHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-22-14-9-7-13(8-10-14)18-16(21)17-12-5-3-11(4-6-12)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid?
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 108874268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).