N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

C12H17NO4 — CID 94687468

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-13(12(15)8-14)7-9-4-5-10(16-2)6-11(9)17-3/h4-6,14H,7-8H2,1-3H3
InChIKeyFNFZYWUAWJNWQD-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.65
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 94687468) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID94687468
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-13(12(15)8-14)7-9-4-5-10(16-2)6-11(9)17-3/h4-6,14H,7-8H2,1-3H3
InChIKeyFNFZYWUAWJNWQD-UHFFFAOYSA-N
XLogP0.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (CID 94687468) is N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is COc1ccc(CN(C)C(=O)CO)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is FNFZYWUAWJNWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-13(12(15)8-14)7-9-4-5-10(16-2)6-11(9)17-3/h4-6,14H,7-8H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 239.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 94687468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).