[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate

C18H18N2O4 — CID 17393277

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O4/c1-2-19-17(22)14-9-6-10-15(11-14)20-16(21)12-24-18(23)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyAZUKLKCNGOGOHR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.23
Rot. Bonds6

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate (PubChem CID 17393277) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
PubChem CID17393277
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O4/c1-2-19-17(22)14-9-6-10-15(11-14)20-16(21)12-24-18(23)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyAZUKLKCNGOGOHR-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 9008380
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645620
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9079069
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568243
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886696
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229077
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 40728292
1-O-ethyl 4-O-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015321

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate (CID 17393277) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate is CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate?
The InChIKey is AZUKLKCNGOGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-19-17(22)14-9-6-10-15(11-14)20-16(21)12-24-18(23)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate has a molecular weight of 326.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate is sourced from PubChem (CID 17393277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).