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

C19H20N2O4 — CID 27893664

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O4/c1-3-20-18(23)14-7-5-9-16(11-14)21-17(22)12-25-19(24)15-8-4-6-13(2)10-15/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCDWAQAXUDIUABI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.54
Rot. Bonds6

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

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate (PubChem CID 27893664) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
PubChem CID27893664
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O4/c1-3-20-18(23)14-7-5-9-16(11-14)21-17(22)12-25-19(24)15-8-4-6-13(2)10-15/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCDWAQAXUDIUABI-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.54
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] benzoate
CID 17393277
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229077
1-O-ethyl 4-O-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015321
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9079069
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645620
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 9339677
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 9008380
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886696
[2-(3-methylanilino)-2-oxoethyl] 3-iodobenzoate
CID 2555783
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate (CID 27893664) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate is CCNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(C)c2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate?
The InChIKey is CDWAQAXUDIUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-20-18(23)14-7-5-9-16(11-14)21-17(22)12-25-19(24)15-8-4-6-13(2)10-15/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.54, 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] 3-methylbenzoate is sourced from PubChem (CID 27893664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).