2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C23H29N3O3 — CID 8694916

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-4-29-21-10-9-17(13-22(21)28-3)15-26(2)16-23(27)24-12-11-18-14-25-20-8-6-5-7-19(18)20/h5-10,13-14,25H,4,11-12,15-16H2,1-3H3,(H,24,27)
InChIKeyJKAJXCMCHCQSGX-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.37
Rot. Bonds10

About 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 8694916) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID8694916
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-4-29-21-10-9-17(13-22(21)28-3)15-26(2)16-23(27)24-12-11-18-14-25-20-8-6-5-7-19(18)20/h5-10,13-14,25H,4,11-12,15-16H2,1-3H3,(H,24,27)
InChIKeyJKAJXCMCHCQSGX-UHFFFAOYSA-N
XLogP3.37
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide 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-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
CID 8805917
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017608
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 8694916) is 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCOc1ccc(CN(C)CC(=O)NCCc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is JKAJXCMCHCQSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-29-21-10-9-17(13-22(21)28-3)15-26(2)16-23(27)24-12-11-18-14-25-20-8-6-5-7-19(18)20/h5-10,13-14,25H,4,11-12,15-16H2,1-3H3,(H,24,27).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 8694916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).