3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C21H27N3O2 — CID 54833789

IUPAC3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-5-16-9-6-8-15(4)20(16)24-19(25)13-22-18-11-7-10-17(12-18)21(26)23-14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWUFPPUNYYLMPRM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.75
Rot. Bonds7

About 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide

3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54833789) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54833789
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-5-16-9-6-8-15(4)20(16)24-19(25)13-22-18-11-7-10-17(12-18)21(26)23-14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyWUFPPUNYYLMPRM-UHFFFAOYSA-N
XLogP3.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823992
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54833789) is 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is CCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is WUFPPUNYYLMPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-16-9-6-8-15(4)20(16)24-19(25)13-22-18-11-7-10-17(12-18)21(26)23-14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54833789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).