N-methyl-2-(4-methylphenyl)butanamide

C12H17NO — CID 177273297

IUPACN-methyl-2-(4-methylphenyl)butanamide
SMILESCCC(C(=O)NC)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-4-11(12(14)13-3)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)
InChIKeySWIGOPQYCFMYAZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-2-(4-methylphenyl)butanamide

N-methyl-2-(4-methylphenyl)butanamide (PubChem CID 177273297) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)butanamide
PubChem CID177273297
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-2-(4-methylphenyl)butanamide
SMILESCCC(C(=O)NC)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-4-11(12(14)13-3)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)
InChIKeySWIGOPQYCFMYAZ-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,2-bis(4-methylphenyl)butanamide
CID 2750915
N-acetyl-2-(4-methylphenyl)butanamide
CID 176949258
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
CID 123214374
N,3-dimethyl-2-(4-methylphenyl)butanamide
CID 118371719
2-cyano-N-methyl-2-(4-methylphenyl)acetamide
CID 130010975
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 95561132
2-[4-(methylamino)phenyl]butanamide
CID 175192673
N-[(4-methylphenyl)methylsulfonyl]-2-phenylbutanamide
CID 130327231
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)butanamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)butanamide (CID 177273297) is N-methyl-2-(4-methylphenyl)butanamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)butanamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)butanamide is CCC(C(=O)NC)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)butanamide?
The InChIKey is SWIGOPQYCFMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-11(12(14)13-3)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-2-(4-methylphenyl)butanamide?
N-methyl-2-(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-2-(4-methylphenyl)butanamide is sourced from PubChem (CID 177273297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).