3-methyl-4-(2-methylphenyl)pentanamide

C13H19NO — CID 175805571

IUPAC3-methyl-4-(2-methylphenyl)pentanamide
SMILESCc1ccccc1C(C)C(C)CC(N)=O
InChIInChI=1S/C13H19NO/c1-9-6-4-5-7-12(9)11(3)10(2)8-13(14)15/h4-7,10-11H,8H2,1-3H3,(H2,14,15)
InChIKeyFUPVOESNBUDGKL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.61
Rot. Bonds4

About 3-methyl-4-(2-methylphenyl)pentanamide

3-methyl-4-(2-methylphenyl)pentanamide (PubChem CID 175805571) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)pentanamide.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)pentanamide
PubChem CID175805571
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-4-(2-methylphenyl)pentanamide
SMILESCc1ccccc1C(C)C(C)CC(N)=O
InChIInChI=1S/C13H19NO/c1-9-6-4-5-7-12(9)11(3)10(2)8-13(14)15/h4-7,10-11H,8H2,1-3H3,(H2,14,15)
InChIKeyFUPVOESNBUDGKL-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-4-(2-methylphenyl)pentanoic acid
CID 69407204
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
[(2R,3S)-3-(2-methylphenyl)butan-2-yl] 2-aminoacetate
CID 139473149
1-methyl-2-(3-methylbutan-2-yl)benzene;2-methylpropyl acetate
CID 159813923
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
CID 174318100
2-amino-5-(2,3-dimethylphenyl)-2,4-dimethylhexanoic acid
CID 151150433

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)pentanamide?
The IUPAC name of 3-methyl-4-(2-methylphenyl)pentanamide (CID 175805571) is 3-methyl-4-(2-methylphenyl)pentanamide.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)pentanamide?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)pentanamide is Cc1ccccc1C(C)C(C)CC(N)=O.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)pentanamide?
The InChIKey is FUPVOESNBUDGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-4-5-7-12(9)11(3)10(2)8-13(14)15/h4-7,10-11H,8H2,1-3H3,(H2,14,15).
What are the key properties of 3-methyl-4-(2-methylphenyl)pentanamide?
3-methyl-4-(2-methylphenyl)pentanamide has a molecular weight of 205.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)pentanamide is sourced from PubChem (CID 175805571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).