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

C21H24N2O3 — CID 27645310

IUPAC3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OCC
InChIInChI=1S/C21H24N2O3/c1-3-25-19-10-9-15(13-20(19)26-4-2)21(24)22-12-11-16-14-23-18-8-6-5-7-17(16)18/h5-10,13-14,23H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyNFJCIJKUNGWNDX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.94
Rot. Bonds8

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

3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 27645310) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID27645310
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OCC
InChIInChI=1S/C21H24N2O3/c1-3-25-19-10-9-15(13-20(19)26-4-2)21(24)22-12-11-16-14-23-18-8-6-5-7-17(16)18/h5-10,13-14,23H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyNFJCIJKUNGWNDX-UHFFFAOYSA-N
XLogP3.94
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
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
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
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
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 27645310) is 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is NFJCIJKUNGWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-25-19-10-9-15(13-20(19)26-4-2)21(24)22-12-11-16-14-23-18-8-6-5-7-17(16)18/h5-10,13-14,23H,3-4,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 27645310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).