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

C17H16N2O5 — CID 69242497

IUPAC4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H16N2O5/c1-2-24-16(22)12-5-9-14(10-6-12)19-17(23)18-13-7-3-11(4-8-13)15(20)21/h3-10H,2H2,1H3,(H,20,21)(H2,18,19,23)
InChIKeyORECACSYZUMMEN-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.21
Rot. Bonds5

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

4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid (PubChem CID 69242497) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
PubChem CID69242497
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H16N2O5/c1-2-24-16(22)12-5-9-14(10-6-12)19-17(23)18-13-7-3-11(4-8-13)15(20)21/h3-10H,2H2,1H3,(H,20,21)(H2,18,19,23)
InChIKeyORECACSYZUMMEN-UHFFFAOYSA-N
XLogP3.21
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid
CID 69241870
2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 143182996
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
ethyl 4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]benzoate
CID 11632715
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
CID 108910149
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid (CID 69242497) is 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid is CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
The InChIKey is ORECACSYZUMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-2-24-16(22)12-5-9-14(10-6-12)19-17(23)18-13-7-3-11(4-8-13)15(20)21/h3-10H,2H2,1H3,(H,20,21)(H2,18,19,23).
What are the key properties of 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid?
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid has a molecular weight of 328.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 69242497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).