4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide

C21H26N4O3 — CID 54831862

IUPAC4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-14(2)23-21(28)16-8-10-17(11-9-16)25-20(27)13-22-18-6-5-7-19(12-18)24-15(3)26/h5-12,14,22H,4,13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyLXBUOKCMHLUPDS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.22
Rot. Bonds8

About 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide

4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide (PubChem CID 54831862) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
PubChem CID54831862
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-14(2)23-21(28)16-8-10-17(11-9-16)25-20(27)13-22-18-6-5-7-19(12-18)24-15(3)26/h5-12,14,22H,4,13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyLXBUOKCMHLUPDS-UHFFFAOYSA-N
XLogP3.22
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54836855
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832656
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide?
The IUPAC name of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide (CID 54831862) is 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide?
The InChIKey is LXBUOKCMHLUPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-14(2)23-21(28)16-8-10-17(11-9-16)25-20(27)13-22-18-6-5-7-19(12-18)24-15(3)26/h5-12,14,22H,4,13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide?
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide is sourced from PubChem (CID 54831862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).