3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid

C17H17NO5 — CID 45426053

IUPAC3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1OC
InChIInChI=1S/C17H17NO5/c1-3-23-14-8-7-11(10-15(14)22-2)16(19)18-13-6-4-5-12(9-13)17(20)21/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCEIDGDCUGDKULR-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.04
Rot. Bonds6

About 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid

3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid (PubChem CID 45426053) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
PubChem CID45426053
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
SMILESCCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1OC
InChIInChI=1S/C17H17NO5/c1-3-23-14-8-7-11(10-15(14)22-2)16(19)18-13-6-4-5-12(9-13)17(20)21/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCEIDGDCUGDKULR-UHFFFAOYSA-N
XLogP3.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid
CID 54445185
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid (CID 45426053) is 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid is CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1OC.
What is the InChIKey of 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid?
The InChIKey is CEIDGDCUGDKULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-3-23-14-8-7-11(10-15(14)22-2)16(19)18-13-6-4-5-12(9-13)17(20)21/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid?
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 45426053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).