N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide

C15H21NO3 — CID 115176827

IUPACN-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
SMILESCOc1c(C)cc(N(C)C(=O)CCC(C)=O)cc1C
InChIInChI=1S/C15H21NO3/c1-10-8-13(9-11(2)15(10)19-5)16(4)14(18)7-6-12(3)17/h8-9H,6-7H2,1-5H3
InChIKeyWXYKXXIXQIJHGB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds5

About N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide

N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide (PubChem CID 115176827) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide.

Molecular Properties

Compound NameN-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
PubChem CID115176827
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
SMILESCOc1c(C)cc(N(C)C(=O)CCC(C)=O)cc1C
InChIInChI=1S/C15H21NO3/c1-10-8-13(9-11(2)15(10)19-5)16(4)14(18)7-6-12(3)17/h8-9H,6-7H2,1-5H3
InChIKeyWXYKXXIXQIJHGB-UHFFFAOYSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea
CID 115168292
N-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pentanamide
CID 115176780
methyl 4-(4-methoxy-N,3-dimethylanilino)-4-oxobutanoate
CID 115174603
3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
CID 115138882
4-[(4-methoxy-2,3,5-trimethylphenyl)methyl-methylamino]butan-2-one
CID 115235813
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161460
3-(4-methoxy-N,3,5-trimethylanilino)-3-methylbutanoic acid
CID 117042389
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
methyl 4-(4-fluoro-N,3-dimethylanilino)-4-oxobutanoate
CID 115174602
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide?
The IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide (CID 115176827) is N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide.
What is the SMILES notation for N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide?
The canonical SMILES for N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide is COc1c(C)cc(N(C)C(=O)CCC(C)=O)cc1C.
What is the InChIKey of N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide?
The InChIKey is WXYKXXIXQIJHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-13(9-11(2)15(10)19-5)16(4)14(18)7-6-12(3)17/h8-9H,6-7H2,1-5H3.
What are the key properties of N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide?
N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide has a molecular weight of 263.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide is sourced from PubChem (CID 115176827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).