ethyl 4-[(4-acetylbenzoyl)amino]benzoate

C18H17NO4 — CID 4687806

IUPACethyl 4-[(4-acetylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H17NO4/c1-3-23-18(22)15-8-10-16(11-9-15)19-17(21)14-6-4-13(5-7-14)12(2)20/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyAFTLFNJKDSCURE-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.32
Rot. Bonds5

About ethyl 4-[(4-acetylbenzoyl)amino]benzoate

ethyl 4-[(4-acetylbenzoyl)amino]benzoate (PubChem CID 4687806) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 4-[(4-acetylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-acetylbenzoyl)amino]benzoate
PubChem CID4687806
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 4-[(4-acetylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H17NO4/c1-3-23-18(22)15-8-10-16(11-9-15)19-17(21)14-6-4-13(5-7-14)12(2)20/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyAFTLFNJKDSCURE-UHFFFAOYSA-N
XLogP3.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
ethyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969766
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 4-[[(4-hydroxybenzoyl)amino]carbamoylamino]benzoate
CID 134119432

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-acetylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-acetylbenzoyl)amino]benzoate (CID 4687806) is ethyl 4-[(4-acetylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-acetylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-acetylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-acetylbenzoyl)amino]benzoate?
The InChIKey is AFTLFNJKDSCURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-3-23-18(22)15-8-10-16(11-9-15)19-17(21)14-6-4-13(5-7-14)12(2)20/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[(4-acetylbenzoyl)amino]benzoate?
ethyl 4-[(4-acetylbenzoyl)amino]benzoate has a molecular weight of 311.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-acetylbenzoyl)amino]benzoate is sourced from PubChem (CID 4687806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).