N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide

C14H19NO3 — CID 115175643

IUPACN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
SMILESCOc1c(C)cc(CNC(=O)C(C)=O)c(C)c1C
InChIInChI=1S/C14H19NO3/c1-8-6-12(7-15-14(17)11(4)16)9(2)10(3)13(8)18-5/h6H,7H2,1-5H3,(H,15,17)
InChIKeyWMRBJJXNIPHTOB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds4

About N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide (PubChem CID 115175643) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
PubChem CID115175643
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
SMILESCOc1c(C)cc(CNC(=O)C(C)=O)c(C)c1C
InChIInChI=1S/C14H19NO3/c1-8-6-12(7-15-14(17)11(4)16)9(2)10(3)13(8)18-5/h6H,7H2,1-5H3,(H,15,17)
InChIKeyWMRBJJXNIPHTOB-UHFFFAOYSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
2-cyano-N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 115173093
2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158865
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
CID 115134064
2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110769367
4-[(4-methoxy-2,3,5-trimethylphenyl)methyl-methylamino]butan-2-one
CID 115235813
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide?
The IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide (CID 115175643) is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide?
The canonical SMILES for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide is COc1c(C)cc(CNC(=O)C(C)=O)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide?
The InChIKey is WMRBJJXNIPHTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-8-6-12(7-15-14(17)11(4)16)9(2)10(3)13(8)18-5/h6H,7H2,1-5H3,(H,15,17).
What are the key properties of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide?
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 115175643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).