3-acetamido-N-(3-methylbutyl)benzamide

C14H20N2O2 — CID 17458569

IUPAC3-acetamido-N-(3-methylbutyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)7-8-15-14(18)12-5-4-6-13(9-12)16-11(3)17/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDSZGNYZTZHLNAA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.42
Rot. Bonds5

About 3-acetamido-N-(3-methylbutyl)benzamide

3-acetamido-N-(3-methylbutyl)benzamide (PubChem CID 17458569) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-acetamido-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-methylbutyl)benzamide
PubChem CID17458569
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-acetamido-N-(3-methylbutyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)7-8-15-14(18)12-5-4-6-13(9-12)16-11(3)17/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDSZGNYZTZHLNAA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-2-sulfanylbenzamide
CID 108541848

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-acetamido-N-(3-methylbutyl)benzamide (CID 17458569) is 3-acetamido-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-acetamido-N-(3-methylbutyl)benzamide is CC(=O)Nc1cccc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 3-acetamido-N-(3-methylbutyl)benzamide?
The InChIKey is DSZGNYZTZHLNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)7-8-15-14(18)12-5-4-6-13(9-12)16-11(3)17/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-acetamido-N-(3-methylbutyl)benzamide?
3-acetamido-N-(3-methylbutyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 17458569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).