4-acetamido-N-butan-2-ylbenzamide

C13H18N2O2 — CID 4540233

IUPAC4-acetamido-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-4-9(2)14-13(17)11-5-7-12(8-6-11)15-10(3)16/h5-9H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyUZVRBGFSWNVIHK-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.17
Rot. Bonds4

About 4-acetamido-N-butan-2-ylbenzamide

4-acetamido-N-butan-2-ylbenzamide (PubChem CID 4540233) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-acetamido-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-butan-2-ylbenzamide
PubChem CID4540233
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-acetamido-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-4-9(2)14-13(17)11-5-7-12(8-6-11)15-10(3)16/h5-9H,4H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyUZVRBGFSWNVIHK-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
CID 60569862
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
(E)-4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17201190

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-butan-2-ylbenzamide?
The IUPAC name of 4-acetamido-N-butan-2-ylbenzamide (CID 4540233) is 4-acetamido-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-butan-2-ylbenzamide?
The canonical SMILES for 4-acetamido-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-butan-2-ylbenzamide?
The InChIKey is UZVRBGFSWNVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-9(2)14-13(17)11-5-7-12(8-6-11)15-10(3)16/h5-9H,4H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-acetamido-N-butan-2-ylbenzamide?
4-acetamido-N-butan-2-ylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-butan-2-ylbenzamide is sourced from PubChem (CID 4540233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).