ethyl 3-[(4-ethoxybenzoyl)amino]benzoate

C18H19NO4 — CID 836694

IUPACethyl 3-[(4-ethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C18H19NO4/c1-3-22-16-10-8-13(9-11-16)17(20)19-15-7-5-6-14(12-15)18(21)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeyQSAJJNAWHMSKDF-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.51
Rot. Bonds6

About ethyl 3-[(4-ethoxybenzoyl)amino]benzoate

ethyl 3-[(4-ethoxybenzoyl)amino]benzoate (PubChem CID 836694) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 3-[(4-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-ethoxybenzoyl)amino]benzoate
PubChem CID836694
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 3-[(4-ethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OCC)cc2)c1
InChIInChI=1S/C18H19NO4/c1-3-22-16-10-8-13(9-11-16)17(20)19-15-7-5-6-14(12-15)18(21)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeyQSAJJNAWHMSKDF-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
ethyl 3-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 31420731
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
ethyl 3-acetamidobenzoate
CID 700589
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
3-[(4-ethoxybenzoyl)carbamothioylamino]-N-(3-methylphenyl)benzamide
CID 26164999
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-ethoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-[(4-ethoxybenzoyl)amino]benzoate (CID 836694) is ethyl 3-[(4-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(4-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(4-ethoxybenzoyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(OCC)cc2)c1.
What is the InChIKey of ethyl 3-[(4-ethoxybenzoyl)amino]benzoate?
The InChIKey is QSAJJNAWHMSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-22-16-10-8-13(9-11-16)17(20)19-15-7-5-6-14(12-15)18(21)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,20).
What are the key properties of ethyl 3-[(4-ethoxybenzoyl)amino]benzoate?
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 836694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).