2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide

C20H22N2O3 — CID 17271778

IUPAC2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-13-4-7-18-17(10-13)14(12-22-18)8-9-21-20(23)16-6-5-15(24-2)11-19(16)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyKQLMFGMHEAZKHF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.47
Rot. Bonds6

About 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide

2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 17271778) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID17271778
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-13-4-7-18-17(10-13)14(12-22-18)8-9-21-20(23)16-6-5-15(24-2)11-19(16)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyKQLMFGMHEAZKHF-UHFFFAOYSA-N
XLogP3.47
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
4,5-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamide
CID 17271828
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea
CID 17272233
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-nitrobenzamide
CID 17271715
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide (CID 17271778) is 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2c[nH]c3ccc(C)cc23)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is KQLMFGMHEAZKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-4-7-18-17(10-13)14(12-22-18)8-9-21-20(23)16-6-5-15(24-2)11-19(16)25-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide?
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 17271778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).