2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide

C15H24N2O3 — CID 32661950

IUPAC2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-5-16-15(18)11-17(6-2)10-12-7-8-13(19-3)14(9-12)20-4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18)
InChIKeyOBLCYWBAOMWZFH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide

2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 32661950) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
PubChem CID32661950
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-5-16-15(18)11-17(6-2)10-12-7-8-13(19-3)14(9-12)20-4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18)
InChIKeyOBLCYWBAOMWZFH-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
N-(2-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 30752726
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 46516037
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620426
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 78833894
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16620430

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide (CID 32661950) is 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is OBLCYWBAOMWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-16-15(18)11-17(6-2)10-12-7-8-13(19-3)14(9-12)20-4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide?
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 280.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 32661950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).