2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

C20H25NO4 — CID 75871944

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C(C)c2ccccc2OC)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(16-8-6-7-9-17(16)23-3)21(2)20(22)13-15-10-11-18(24-4)19(12-15)25-5/h6-12,14H,13H2,1-5H3
InChIKeyRCCPKFBYQNVJFE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.47
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 75871944) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID75871944
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C(C)c2ccccc2OC)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(16-8-6-7-9-17(16)23-3)21(2)20(22)13-15-10-11-18(24-4)19(12-15)25-5/h6-12,14H,13H2,1-5H3
InChIKeyRCCPKFBYQNVJFE-UHFFFAOYSA-N
XLogP3.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 99947653
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 55588283
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054649
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347396
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 75871944) is 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is COc1ccc(CC(=O)N(C)C(C)c2ccccc2OC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is RCCPKFBYQNVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(16-8-6-7-9-17(16)23-3)21(2)20(22)13-15-10-11-18(24-4)19(12-15)25-5/h6-12,14H,13H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 343.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 75871944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).