3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide

C21H24N2O5 — CID 113084619

IUPAC3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2c[nH]c3cc(OC)c(OC)c(OC)c23)c1
InChIInChI=1S/C21H24N2O5/c1-25-15-7-5-6-13(10-15)21(24)22-9-8-14-12-23-16-11-17(26-2)19(27-3)20(28-4)18(14)16/h5-7,10-12,23H,8-9H2,1-4H3,(H,22,24)
InChIKeyBAWYNOLRFITZJI-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.17
Rot. Bonds8

About 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide

3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 113084619) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID113084619
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2c[nH]c3cc(OC)c(OC)c(OC)c23)c1
InChIInChI=1S/C21H24N2O5/c1-25-15-7-5-6-13(10-15)21(24)22-9-8-14-12-23-16-11-17(26-2)19(27-3)20(28-4)18(14)16/h5-7,10-12,23H,8-9H2,1-4H3,(H,22,24)
InChIKeyBAWYNOLRFITZJI-UHFFFAOYSA-N
XLogP3.17
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113084605
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 110789338
3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096429
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211220
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide (CID 113084619) is 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide is COc1cccc(C(=O)NCCc2c[nH]c3cc(OC)c(OC)c(OC)c23)c1.
What is the InChIKey of 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is BAWYNOLRFITZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-25-15-7-5-6-13(10-15)21(24)22-9-8-14-12-23-16-11-17(26-2)19(27-3)20(28-4)18(14)16/h5-7,10-12,23H,8-9H2,1-4H3,(H,22,24).
What are the key properties of 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide?
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 113084619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).