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

C23H28N2O4 — CID 27645186

IUPAC3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC
InChIInChI=1S/C23H28N2O4/c1-4-27-20-13-17(14-21(28-5-2)22(20)29-6-3)23(26)24-12-11-16-15-25-19-10-8-7-9-18(16)19/h7-10,13-15,25H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeySRPFQBCJTVNZEQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.34
Rot. Bonds10

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

3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 27645186) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID27645186
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC
InChIInChI=1S/C23H28N2O4/c1-4-27-20-13-17(14-21(28-5-2)22(20)29-6-3)23(26)24-12-11-16-15-25-19-10-8-7-9-18(16)19/h7-10,13-15,25H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeySRPFQBCJTVNZEQ-UHFFFAOYSA-N
XLogP4.34
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
4-ethoxy-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 35769791

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 27645186) is 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide is CCOc1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is SRPFQBCJTVNZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-27-20-13-17(14-21(28-5-2)22(20)29-6-3)23(26)24-12-11-16-15-25-19-10-8-7-9-18(16)19/h7-10,13-15,25H,4-6,11-12H2,1-3H3,(H,24,26).
What are the key properties of 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 27645186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).