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

C14H20N2O2 — CID 39975961

IUPACN-(3-acetamido-2-methylphenyl)-3-methylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(C)C)c1C
InChIInChI=1S/C14H20N2O2/c1-9(2)8-14(18)16-13-7-5-6-12(10(13)3)15-11(4)17/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyKLBVJPNULGANOO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.94
Rot. Bonds4

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

N-(3-acetamido-2-methylphenyl)-3-methylbutanamide (PubChem CID 39975961) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-3-methylbutanamide
PubChem CID39975961
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-acetamido-2-methylphenyl)-3-methylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(C)C)c1C
InChIInChI=1S/C14H20N2O2/c1-9(2)8-14(18)16-13-7-5-6-12(10(13)3)15-11(4)17/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyKLBVJPNULGANOO-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

methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258
N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide
CID 131928295
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide
CID 168516325
N-(3-acetamido-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 39975983
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
CID 113092923
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
CID 24702530
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-3-methylbutanamide (CID 39975961) is N-(3-acetamido-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-3-methylbutanamide is CC(=O)Nc1cccc(NC(=O)CC(C)C)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-3-methylbutanamide?
The InChIKey is KLBVJPNULGANOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)8-14(18)16-13-7-5-6-12(10(13)3)15-11(4)17/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamido-2-methylphenyl)-3-methylbutanamide?
N-(3-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-(3-acetamido-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 39975961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).