N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide

C19H23NO — CID 60538754

IUPACN-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
SMILESCc1ccc(C)c(N(C)C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-15-12-13-16(2)18(14-15)20(3)19(21)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-14H,7,10-11H2,1-3H3
InChIKeyBTHOVZLHACGSHN-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.29
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide

N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide (PubChem CID 60538754) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
PubChem CID60538754
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
SMILESCc1ccc(C)c(N(C)C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-15-12-13-16(2)18(14-15)20(3)19(21)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-14H,7,10-11H2,1-3H3
InChIKeyBTHOVZLHACGSHN-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
7-(N,2-dimethylanilino)-7-oxoheptanoic acid
CID 59823939
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
5-(5-bromo-N,2-dimethylanilino)-5-oxopentanoic acid
CID 115163850
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
N-benzyl-N,2,5-trimethylaniline
CID 15439716
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide
CID 66744923
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide (CID 60538754) is N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide is Cc1ccc(C)c(N(C)C(=O)CCCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide?
The InChIKey is BTHOVZLHACGSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-12-13-16(2)18(14-15)20(3)19(21)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-14H,7,10-11H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide?
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide has a molecular weight of 281.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 60538754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).