2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide

C18H21N3O2 — CID 26543572

IUPAC2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCc1cccc(NC(=O)CNc2ccccc2C(=O)NC)c1
InChIInChI=1S/C18H21N3O2/c1-3-13-7-6-8-14(11-13)21-17(22)12-20-16-10-5-4-9-15(16)18(23)19-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySAQXIGMLYUFFJI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.66
Rot. Bonds6

About 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide

2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 26543572) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID26543572
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCCc1cccc(NC(=O)CNc2ccccc2C(=O)NC)c1
InChIInChI=1S/C18H21N3O2/c1-3-13-7-6-8-14(11-13)21-17(22)12-20-16-10-5-4-9-15(16)18(23)19-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySAQXIGMLYUFFJI-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543586
2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 26543694
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
CID 24662266
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 38253484
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103465
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 26543572) is 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide is CCc1cccc(NC(=O)CNc2ccccc2C(=O)NC)c1.
What is the InChIKey of 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is SAQXIGMLYUFFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-13-7-6-8-14(11-13)21-17(22)12-20-16-10-5-4-9-15(16)18(23)19-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 26543572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).