2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide

C17H27N3O4 — CID 8694746

IUPAC2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide
SMILESCCOc1ccc(CN(C)CC(=O)N(C)CC(=O)NC)cc1OC
InChIInChI=1S/C17H27N3O4/c1-6-24-14-8-7-13(9-15(14)23-5)10-19(3)12-17(22)20(4)11-16(21)18-2/h7-9H,6,10-12H2,1-5H3,(H,18,21)
InChIKeyTVLUHGJBGIEBRL-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.73
Rot. Bonds9

About 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide

2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide (PubChem CID 8694746) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide
PubChem CID8694746
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide
SMILESCCOc1ccc(CN(C)CC(=O)N(C)CC(=O)NC)cc1OC
InChIInChI=1S/C17H27N3O4/c1-6-24-14-8-7-13(9-15(14)23-5)10-19(3)12-17(22)20(4)11-16(21)18-2/h7-9H,6,10-12H2,1-5H3,(H,18,21)
InChIKeyTVLUHGJBGIEBRL-UHFFFAOYSA-N
XLogP0.73
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656790
N-(2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 8798696
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8798546
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698320
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8694848
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200500

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide (CID 8694746) is 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide is CCOc1ccc(CN(C)CC(=O)N(C)CC(=O)NC)cc1OC.
What is the InChIKey of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide?
The InChIKey is TVLUHGJBGIEBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-6-24-14-8-7-13(9-15(14)23-5)10-19(3)12-17(22)20(4)11-16(21)18-2/h7-9H,6,10-12H2,1-5H3,(H,18,21).
What are the key properties of 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide?
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide has a molecular weight of 337.42 g/mol, XLogP of 0.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 8694746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).