4-acetamido-N-pentan-2-ylbenzamide

C14H20N2O2 — CID 2885822

IUPAC4-acetamido-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)15-14(18)12-6-8-13(9-7-12)16-11(3)17/h6-10H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyONDSPLWAURSXSA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.56
Rot. Bonds5

About 4-acetamido-N-pentan-2-ylbenzamide

4-acetamido-N-pentan-2-ylbenzamide (PubChem CID 2885822) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-acetamido-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-pentan-2-ylbenzamide
PubChem CID2885822
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-acetamido-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)15-14(18)12-6-8-13(9-7-12)16-11(3)17/h6-10H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyONDSPLWAURSXSA-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-acetamido-N-pentan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 977275
4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 7318150
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 97236104
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
4-acetamido-N-(1-methylsulfanylethyl)benzamide
CID 118982010
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
CID 60569862
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-pentan-2-ylbenzamide?
The IUPAC name of 4-acetamido-N-pentan-2-ylbenzamide (CID 2885822) is 4-acetamido-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-acetamido-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-pentan-2-ylbenzamide?
The InChIKey is ONDSPLWAURSXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-10(2)15-14(18)12-6-8-13(9-7-12)16-11(3)17/h6-10H,4-5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-acetamido-N-pentan-2-ylbenzamide?
4-acetamido-N-pentan-2-ylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-pentan-2-ylbenzamide is sourced from PubChem (CID 2885822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).