N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide

C12H17NO4 — CID 47161214

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cccc(OC)c1OC
InChIInChI=1S/C12H17NO4/c1-15-8-11(14)13-7-9-5-4-6-10(16-2)12(9)17-3/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyFQHHRGRDZGGIMI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.97
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide (PubChem CID 47161214) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
PubChem CID47161214
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cccc(OC)c1OC
InChIInChI=1S/C12H17NO4/c1-15-8-11(14)13-7-9-5-4-6-10(16-2)12(9)17-3/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyFQHHRGRDZGGIMI-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
CID 74250612
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824
[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate
CID 71823659
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 55665042
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide (CID 47161214) is N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide?
The InChIKey is FQHHRGRDZGGIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-8-11(14)13-7-9-5-4-6-10(16-2)12(9)17-3/h4-6H,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide has a molecular weight of 239.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 47161214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).