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

C29H32N2O5 — CID 46521063

IUPAC4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C29H32N2O5/c1-5-35-25-13-11-19(15-27(25)33-3)22(23-18-30-24-10-8-7-9-21(23)24)17-31-29(32)20-12-14-26(36-6-2)28(16-20)34-4/h7-16,18,22,30H,5-6,17H2,1-4H3,(H,31,32)
InChIKeyOLRMHZDPIVJDQL-UHFFFAOYSA-N
MW488.58 g/mol
LogP5.54
Rot. Bonds11

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

4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide (PubChem CID 46521063) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
PubChem CID46521063
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Name4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C29H32N2O5/c1-5-35-25-13-11-19(15-27(25)33-3)22(23-18-30-24-10-8-7-9-21(23)24)17-31-29(32)20-12-14-26(36-6-2)28(16-20)34-4/h7-16,18,22,30H,5-6,17H2,1-4H3,(H,31,32)
InChIKeyOLRMHZDPIVJDQL-UHFFFAOYSA-N
XLogP5.54
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 29204639
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26996376
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119692889
N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573472
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 60606874
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
CID 17013073
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
3-(carbamoylamino)-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 42953197
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
CID 92876005
(2R)-N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813800

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide (CID 46521063) is 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide is CCOc1ccc(C(=O)NCC(c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
The InChIKey is OLRMHZDPIVJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c1-5-35-25-13-11-19(15-27(25)33-3)22(23-18-30-24-10-8-7-9-21(23)24)17-31-29(32)20-12-14-26(36-6-2)28(16-20)34-4/h7-16,18,22,30H,5-6,17H2,1-4H3,(H,31,32).
What are the key properties of 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide?
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide has a molecular weight of 488.58 g/mol, XLogP of 5.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 46521063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).