[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C24H28N2O5 — CID 9017608

IUPAC[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCOc1ccc(CN(CC)C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C24H28N2O5/c1-4-26(15-17-10-11-21(30-5-2)22(12-17)29-3)23(27)16-31-24(28)13-18-14-25-20-9-7-6-8-19(18)20/h6-12,14,25H,4-5,13,15-16H2,1-3H3
InChIKeyXIDQSFJEADYMSX-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.71
Rot. Bonds10

About [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 9017608) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID9017608
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCOc1ccc(CN(CC)C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C24H28N2O5/c1-4-26(15-17-10-11-21(30-5-2)22(12-17)29-3)23(27)16-31-24(28)13-18-14-25-20-9-7-6-8-19(18)20/h6-12,14,25H,4-5,13,15-16H2,1-3H3
InChIKeyXIDQSFJEADYMSX-UHFFFAOYSA-N
XLogP3.71
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate 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-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8694916
N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42772287
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 34429647
[2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 8895035
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-oxo-1H-quinoline-3-carboxamide
CID 24655966
3-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole;oxalic acid
CID 17366831
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203431
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 9017608) is [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CCOc1ccc(CN(CC)C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is XIDQSFJEADYMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-4-26(15-17-10-11-21(30-5-2)22(12-17)29-3)23(27)16-31-24(28)13-18-14-25-20-9-7-6-8-19(18)20/h6-12,14,25H,4-5,13,15-16H2,1-3H3.
What are the key properties of [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 424.50 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 9017608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).