N-(3-acetyl-4-methylphenyl)butanamide;ethane

C15H23NO2 — CID 153353610

IUPACN-(3-acetyl-4-methylphenyl)butanamide;ethane
SMILESCC.CCCC(=O)Nc1ccc(C)c(C(C)=O)c1
InChIInChI=1S/C13H17NO2.C2H6/c1-4-5-13(16)14-11-7-6-9(2)12(8-11)10(3)15;1-2/h6-8H,4-5H2,1-3H3,(H,14,16);1-2H3
InChIKeyCLMOZQNRCBUFHO-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.96
Rot. Bonds4

About N-(3-acetyl-4-methylphenyl)butanamide;ethane

N-(3-acetyl-4-methylphenyl)butanamide;ethane (PubChem CID 153353610) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-acetyl-4-methylphenyl)butanamide;ethane.

Molecular Properties

Compound NameN-(3-acetyl-4-methylphenyl)butanamide;ethane
PubChem CID153353610
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-acetyl-4-methylphenyl)butanamide;ethane
SMILESCC.CCCC(=O)Nc1ccc(C)c(C(C)=O)c1
InChIInChI=1S/C13H17NO2.C2H6/c1-4-5-13(16)14-11-7-6-9(2)12(8-11)10(3)15;1-2/h6-8H,4-5H2,1-3H3,(H,14,16);1-2H3
InChIKeyCLMOZQNRCBUFHO-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[3-acetyl-4-[2-(2-methylphenoxy)ethoxy]phenyl]butanamide
CID 52891638
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
N-[3-acetyl-4-[(4-methylphenyl)methoxy]phenyl]butanamide
CID 31472185
N-[3-methyl-4-(methylamino)phenyl]butanamide
CID 175204219
2-methyl-5-[[5-oxo-5-(propylamino)pentanoyl]amino]benzoic acid
CID 119255213
N-[3-acetyl-4-(2-ethoxyethoxy)phenyl]butanamide
CID 75438927
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[3-acetyl-4-[(4-bromophenyl)methoxy]phenyl]butanamide
CID 16545454
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N-[3-acetyl-4-[2-(4-bromophenoxy)ethoxy]phenyl]butanamide
CID 31471787

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-methylphenyl)butanamide;ethane?
The IUPAC name of N-(3-acetyl-4-methylphenyl)butanamide;ethane (CID 153353610) is N-(3-acetyl-4-methylphenyl)butanamide;ethane.
What is the SMILES notation for N-(3-acetyl-4-methylphenyl)butanamide;ethane?
The canonical SMILES for N-(3-acetyl-4-methylphenyl)butanamide;ethane is CC.CCCC(=O)Nc1ccc(C)c(C(C)=O)c1.
What is the InChIKey of N-(3-acetyl-4-methylphenyl)butanamide;ethane?
The InChIKey is CLMOZQNRCBUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6/c1-4-5-13(16)14-11-7-6-9(2)12(8-11)10(3)15;1-2/h6-8H,4-5H2,1-3H3,(H,14,16);1-2H3.
What are the key properties of N-(3-acetyl-4-methylphenyl)butanamide;ethane?
N-(3-acetyl-4-methylphenyl)butanamide;ethane has a molecular weight of 249.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-methylphenyl)butanamide;ethane is sourced from PubChem (CID 153353610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).