[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C23H29NO6 — CID 34429647

IUPAC[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)CCOc1ccccc1C
InChIInChI=1S/C23H29NO6/c1-5-24(15-18-10-11-20(27-3)21(14-18)28-4)22(25)16-30-23(26)12-13-29-19-9-7-6-8-17(19)2/h6-11,14H,5,12-13,15-16H2,1-4H3
InChIKeyIBITVAAMILLSGK-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.37
Rot. Bonds11

About [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 34429647) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID34429647
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)CCOc1ccccc1C
InChIInChI=1S/C23H29NO6/c1-5-24(15-18-10-11-20(27-3)21(14-18)28-4)22(25)16-30-23(26)12-13-29-19-9-7-6-8-17(19)2/h6-11,14H,5,12-13,15-16H2,1-4H3
InChIKeyIBITVAAMILLSGK-UHFFFAOYSA-N
XLogP3.37
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate 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

[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203431
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 78815223
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290533
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 27876771
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017608
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8807783
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 34429647) is [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)CCOc1ccccc1C.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is IBITVAAMILLSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-5-24(15-18-10-11-20(27-3)21(14-18)28-4)22(25)16-30-23(26)12-13-29-19-9-7-6-8-17(19)2/h6-11,14H,5,12-13,15-16H2,1-4H3.
What are the key properties of [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 415.49 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 34429647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).