3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide

C24H32N4O3 — CID 54844628

IUPAC3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)17-9-8-12-20(14-17)27-21(29)15-25-19-11-7-10-18(13-19)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyBUMHCLKLAASPLN-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.79
Rot. Bonds8

About 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide

3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54844628) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54844628
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCCC(C)NC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)17-9-8-12-20(14-17)27-21(29)15-25-19-11-7-10-18(13-19)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyBUMHCLKLAASPLN-UHFFFAOYSA-N
XLogP3.79
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54844628) is 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide is CCC(C)NC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is BUMHCLKLAASPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)17-9-8-12-20(14-17)27-21(29)15-25-19-11-7-10-18(13-19)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide has a molecular weight of 424.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54844628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).