ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate

C19H30N2O4 — CID 47825221

IUPACethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)CC(=O)NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H30N2O4/c1-6-25-19(23)13-21(9-10-24-5)12-18(22)20-16(4)17-8-7-14(2)15(3)11-17/h7-8,11,16H,6,9-10,12-13H2,1-5H3,(H,20,22)
InChIKeyMZNIYDPDMIZOJH-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.99
Rot. Bonds10

About ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate (PubChem CID 47825221) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
PubChem CID47825221
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nameethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)CC(=O)NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H30N2O4/c1-6-25-19(23)13-21(9-10-24-5)12-18(22)20-16(4)17-8-7-14(2)15(3)11-17/h7-8,11,16H,6,9-10,12-13H2,1-5H3,(H,20,22)
InChIKeyMZNIYDPDMIZOJH-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate with MolForge

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Related Compounds

ethyl N-[2-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905009
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 110881147
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261210
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025824
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 34161966
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243480
2-(2,6-dimethoxyphenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 46697439
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904361
ethyl 4-[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932049

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate (CID 47825221) is ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)CC(=O)NC(C)c1ccc(C)c(C)c1.
What is the InChIKey of ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is MZNIYDPDMIZOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-25-19(23)13-21(9-10-24-5)12-18(22)20-16(4)17-8-7-14(2)15(3)11-17/h7-8,11,16H,6,9-10,12-13H2,1-5H3,(H,20,22).
What are the key properties of ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 350.46 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 47825221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).