ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate

C18H17NO5 — CID 16604959

IUPACethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H17NO5/c1-3-24-18(22)14-6-4-5-7-15(14)19-16(20)12-8-10-13(11-9-12)17(21)23-2/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyCSZSDTCGOORQJD-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.90
Rot. Bonds5

About ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate

ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate (PubChem CID 16604959) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
PubChem CID16604959
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Nameethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H17NO5/c1-3-24-18(22)14-6-4-5-7-15(14)19-16(20)12-8-10-13(11-9-12)17(21)23-2/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyCSZSDTCGOORQJD-UHFFFAOYSA-N
XLogP2.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate (CID 16604959) is ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate?
The InChIKey is CSZSDTCGOORQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-3-24-18(22)14-6-4-5-7-15(14)19-16(20)12-8-10-13(11-9-12)17(21)23-2/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate?
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate has a molecular weight of 327.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate is sourced from PubChem (CID 16604959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).