N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

C20H23N3O3 — CID 51220151

IUPACN-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-21-19(25)15-6-5-7-17(11-15)23-18(24)12-22-20(26)16-9-13(2)8-14(3)10-16/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyCEKAKXDUUOSBNG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 51220151) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID51220151
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-4-21-19(25)15-6-5-7-17(11-15)23-18(24)12-22-20(26)16-9-13(2)8-14(3)10-16/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyCEKAKXDUUOSBNG-UHFFFAOYSA-N
XLogP2.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3-acetamido-N-ethylbenzamide
CID 17230670
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 51220151) is N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is CCNC(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is CEKAKXDUUOSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-21-19(25)15-6-5-7-17(11-15)23-18(24)12-22-20(26)16-9-13(2)8-14(3)10-16/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 51220151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).