3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C24H30N2O4 — CID 3288194

IUPAC3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCn2c(C)cc3ccccc32)cc(OCC)c1OCC
InChIInChI=1S/C24H30N2O4/c1-5-28-21-15-19(16-22(29-6-2)23(21)30-7-3)24(27)25-12-13-26-17(4)14-18-10-8-9-11-20(18)26/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,27)
InChIKeyJTYZJIGSQJHYLS-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.58
Rot. Bonds10

About 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 3288194) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID3288194
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCn2c(C)cc3ccccc32)cc(OCC)c1OCC
InChIInChI=1S/C24H30N2O4/c1-5-28-21-15-19(16-22(29-6-2)23(21)30-7-3)24(27)25-12-13-26-17(4)14-18-10-8-9-11-20(18)26/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,27)
InChIKeyJTYZJIGSQJHYLS-UHFFFAOYSA-N
XLogP4.58
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
CID 90680601
3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588973
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403
3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444068

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 3288194) is 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is CCOc1cc(C(=O)NCCn2c(C)cc3ccccc32)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is JTYZJIGSQJHYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-28-21-15-19(16-22(29-6-2)23(21)30-7-3)24(27)25-12-13-26-17(4)14-18-10-8-9-11-20(18)26/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,27).
What are the key properties of 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 3288194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).