N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide

C14H21NO4 — CID 115140029

IUPACN-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)CO)c(OC)c(C)c1C
InChIInChI=1S/C14H21NO4/c1-9-10(2)14(19-5)11(6-12(9)18-4)7-15(3)13(17)8-16/h6,16H,7-8H2,1-5H3
InChIKeyKPKCLRAATMEIAJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.27
Rot. Bonds5

About N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide

N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 115140029) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID115140029
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1cc(CN(C)C(=O)CO)c(OC)c(C)c1C
InChIInChI=1S/C14H21NO4/c1-9-10(2)14(19-5)11(6-12(9)18-4)7-15(3)13(17)8-16/h6,16H,7-8H2,1-5H3
InChIKeyKPKCLRAATMEIAJ-UHFFFAOYSA-N
XLogP1.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 115140161
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
CID 115152925
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167934

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide (CID 115140029) is N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide is COc1cc(CN(C)C(=O)CO)c(OC)c(C)c1C.
What is the InChIKey of N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is KPKCLRAATMEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-10(2)14(19-5)11(6-12(9)18-4)7-15(3)13(17)8-16/h6,16H,7-8H2,1-5H3.
What are the key properties of N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 267.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 115140029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).