N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide

C15H21NO3 — CID 115176749

IUPACN-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide
SMILESCOc1c(C)c(C)cc(C)c1NC(=O)CCC(C)=O
InChIInChI=1S/C15H21NO3/c1-9-8-10(2)14(15(19-5)12(9)4)16-13(18)7-6-11(3)17/h8H,6-7H2,1-5H3,(H,16,18)
InChIKeyGIYXAJBHYFZVRL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.93
Rot. Bonds5

About N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide

N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide (PubChem CID 115176749) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide
PubChem CID115176749
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide
SMILESCOc1c(C)c(C)cc(C)c1NC(=O)CCC(C)=O
InChIInChI=1S/C15H21NO3/c1-9-8-10(2)14(15(19-5)12(9)4)16-13(18)7-6-11(3)17/h8H,6-7H2,1-5H3,(H,16,18)
InChIKeyGIYXAJBHYFZVRL-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide
CID 115155164
4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
CID 115235463
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
3-(4-methoxy-2,3,6-trimethylanilino)-3-oxopropanoic acid
CID 115163267
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide?
The IUPAC name of N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide (CID 115176749) is N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide?
The canonical SMILES for N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide is COc1c(C)c(C)cc(C)c1NC(=O)CCC(C)=O.
What is the InChIKey of N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide?
The InChIKey is GIYXAJBHYFZVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-8-10(2)14(15(19-5)12(9)4)16-13(18)7-6-11(3)17/h8H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide?
N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide has a molecular weight of 263.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide is sourced from PubChem (CID 115176749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).