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

C25H24N2O4 — CID 40717948

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c1-2-26-24(29)20-12-8-13-21(16-20)27-23(28)17-31-25(30)22-14-7-6-11-19(22)15-18-9-4-3-5-10-18/h3-14,16H,2,15,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyPIXGYOFXLVTUEQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.82
Rot. Bonds8

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

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate (PubChem CID 40717948) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
PubChem CID40717948
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c1-2-26-24(29)20-12-8-13-21(16-20)27-23(28)17-31-25(30)22-14-7-6-11-19(22)15-18-9-4-3-5-10-18/h3-14,16H,2,15,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyPIXGYOFXLVTUEQ-UHFFFAOYSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 3654824
[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
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197884
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate (CID 40717948) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate is CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is PIXGYOFXLVTUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-2-26-24(29)20-12-8-13-21(16-20)27-23(28)17-31-25(30)22-14-7-6-11-19(22)15-18-9-4-3-5-10-18/h3-14,16H,2,15,17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 416.48 g/mol, XLogP of 3.82, 8 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] 2-benzylbenzoate is sourced from PubChem (CID 40717948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).