N-(5-acetamido-2-methylphenyl)-3-methylbutanamide

C14H20N2O2 — CID 47191002

IUPACN-(5-acetamido-2-methylphenyl)-3-methylbutanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)7-14(18)16-13-8-12(15-11(4)17)6-5-10(13)3/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyGBQSHBHXKMVSDJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.94
Rot. Bonds4

About N-(5-acetamido-2-methylphenyl)-3-methylbutanamide

N-(5-acetamido-2-methylphenyl)-3-methylbutanamide (PubChem CID 47191002) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-methylbutanamide
PubChem CID47191002
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-methylbutanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)7-14(18)16-13-8-12(15-11(4)17)6-5-10(13)3/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyGBQSHBHXKMVSDJ-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62964215
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
N-(5-acetamido-2-methylphenyl)-2-ethoxyacetamide
CID 61216429
N-(5-acetamido-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950028
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 86938339
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659
N-(5-acetamido-2-methylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853430
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
(3S)-3-(5-acetamido-2-methylanilino)-N-(3-fluorophenyl)butanamide
CID 124886063
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-methylbutanamide (CID 47191002) is N-(5-acetamido-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-methylbutanamide is CC(=O)Nc1ccc(C)c(NC(=O)CC(C)C)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-methylbutanamide?
The InChIKey is GBQSHBHXKMVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)7-14(18)16-13-8-12(15-11(4)17)6-5-10(13)3/h5-6,8-9H,7H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-methylbutanamide?
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide has a molecular weight of 248.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 47191002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).