2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide

C15H22N2O2 — CID 17395399

IUPAC2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1C)C(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)14(17-12(4)18)15(19)16-9-13-8-6-5-7-11(13)3/h5-8,10,14H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyORULXEDXPJETLH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds5

About 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide

2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 17395399) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID17395399
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1C)C(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)14(17-12(4)18)15(19)16-9-13-8-6-5-7-11(13)3/h5-8,10,14H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyORULXEDXPJETLH-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide
CID 115187718
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
(2S)-2-acetamido-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-methylbutanamide
CID 124733535
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
N-[(2R)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 8641727
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 45223637
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
(2R)-2-acetamido-3-methyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 138009138
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide (CID 17395399) is 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide is CC(=O)NC(C(=O)NCc1ccccc1C)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is ORULXEDXPJETLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)14(17-12(4)18)15(19)16-9-13-8-6-5-7-11(13)3/h5-8,10,14H,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 17395399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).