N-methyl-3-(4-methylphenyl)butanamide

C12H17NO — CID 82075625

IUPACN-methyl-3-(4-methylphenyl)butanamide
SMILESCNC(=O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-11(7-5-9)10(2)8-12(14)13-3/h4-7,10H,8H2,1-3H3,(H,13,14)
InChIKeyVINGDCJDDZMFJD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-3-(4-methylphenyl)butanamide

N-methyl-3-(4-methylphenyl)butanamide (PubChem CID 82075625) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)butanamide
PubChem CID82075625
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-3-(4-methylphenyl)butanamide
SMILESCNC(=O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-11(7-5-9)10(2)8-12(14)13-3/h4-7,10H,8H2,1-3H3,(H,13,14)
InChIKeyVINGDCJDDZMFJD-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150
2-methyl-6-(4-methylphenyl)hept-1-en-4-one
CID 10822616
propan-2-yl (3R)-3-(4-methylphenyl)butanoate
CID 101090137
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methylbutanamide
CID 121345050
N-methyl-2-[4-[1-(4-methylphenyl)ethylamino]phenyl]acetamide
CID 43714072
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 116612692
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)butanamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)butanamide (CID 82075625) is N-methyl-3-(4-methylphenyl)butanamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)butanamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)butanamide is CNC(=O)CC(C)c1ccc(C)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)butanamide?
The InChIKey is VINGDCJDDZMFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-6-11(7-5-9)10(2)8-12(14)13-3/h4-7,10H,8H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-3-(4-methylphenyl)butanamide?
N-methyl-3-(4-methylphenyl)butanamide has a molecular weight of 191.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)butanamide is sourced from PubChem (CID 82075625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).