N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide

C14H21NO4 — CID 116860900

IUPACN-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide
SMILESCOc1cc(C)c(C(CO)N(C)C(C)=O)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-9-6-11(18-4)7-13(19-5)14(9)12(8-16)15(3)10(2)17/h6-7,12,16H,8H2,1-5H3
InChIKeyGFRYOTXXCGANIA-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.52
Rot. Bonds5

About N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide

N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide (PubChem CID 116860900) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide
PubChem CID116860900
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide
SMILESCOc1cc(C)c(C(CO)N(C)C(C)=O)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-9-6-11(18-4)7-13(19-5)14(9)12(8-16)15(3)10(2)17/h6-7,12,16H,8H2,1-5H3
InChIKeyGFRYOTXXCGANIA-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711
N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide
CID 116860821
5-amino-5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116940763
2-(2,4-dimethoxy-6-methylphenyl)-3-oxobutanenitrile
CID 42638797
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162936
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
CID 116868681
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide?
The IUPAC name of N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide (CID 116860900) is N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide?
The canonical SMILES for N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide is COc1cc(C)c(C(CO)N(C)C(C)=O)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide?
The InChIKey is GFRYOTXXCGANIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-6-11(18-4)7-13(19-5)14(9)12(8-16)15(3)10(2)17/h6-7,12,16H,8H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide?
N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide has a molecular weight of 267.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide is sourced from PubChem (CID 116860900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).