4-(2-methylphenyl)butanamide

C11H15NO — CID 22103596

IUPAC4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(N)=O
InChIInChI=1S/C11H15NO/c1-9-5-2-3-6-10(9)7-4-8-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H2,12,13)
InChIKeyKKTTYQQTVIGAIP-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.80
Rot. Bonds4

About 4-(2-methylphenyl)butanamide

4-(2-methylphenyl)butanamide (PubChem CID 22103596) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)butanamide
PubChem CID22103596
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(N)=O
InChIInChI=1S/C11H15NO/c1-9-5-2-3-6-10(9)7-4-8-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H2,12,13)
InChIKeyKKTTYQQTVIGAIP-UHFFFAOYSA-N
XLogP1.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
3-(2-methylphenyl)propyl hydrogen carbonate
CID 150352132
N-methoxy-4-(2-methylphenyl)butanamide
CID 110611839
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
4-(2-methylphenyl)butyl acetate
CID 145430143
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
bis[4-(2-methylphenyl)butyl] benzene-1,2-dicarboxylate
CID 175027076
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 107830087
hexan-2-one;1-methyl-2-propylbenzene
CID 144659527
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)butanamide?
The IUPAC name of 4-(2-methylphenyl)butanamide (CID 22103596) is 4-(2-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-methylphenyl)butanamide?
The canonical SMILES for 4-(2-methylphenyl)butanamide is Cc1ccccc1CCCC(N)=O.
What is the InChIKey of 4-(2-methylphenyl)butanamide?
The InChIKey is KKTTYQQTVIGAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-5-2-3-6-10(9)7-4-8-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H2,12,13).
What are the key properties of 4-(2-methylphenyl)butanamide?
4-(2-methylphenyl)butanamide has a molecular weight of 177.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)butanamide is sourced from PubChem (CID 22103596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).