N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

C12H17NO4 — CID 14117549

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)cc1OC
InChIInChI=1S/C12H17NO4/c1-13(12(15)8-14)7-9-4-5-10(16-2)11(6-9)17-3/h4-6,14H,7-8H2,1-3H3
InChIKeyXZQZXVHEGZQGMO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.65
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 14117549) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID14117549
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CO)cc1OC
InChIInChI=1S/C12H17NO4/c1-13(12(15)8-14)7-9-4-5-10(16-2)11(6-9)17-3/h4-6,14H,7-8H2,1-3H3
InChIKeyXZQZXVHEGZQGMO-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-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115139923
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
N-[(3,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 112792441
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 10089639
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide (CID 14117549) is N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is COc1ccc(CN(C)C(=O)CO)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is XZQZXVHEGZQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-13(12(15)8-14)7-9-4-5-10(16-2)11(6-9)17-3/h4-6,14H,7-8H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide?
N-[(3,4-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-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 14117549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).