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

C26H27N3O4 — CID 164612613

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide
SMILESCOc1cc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C26H27N3O4/c1-31-23-14-18(15-24(32-2)25(23)33-3)29-22-11-7-5-9-20(22)26(30)27-13-12-17-16-28-21-10-6-4-8-19(17)21/h4-11,14-16,28-29H,12-13H2,1-3H3,(H,27,30)
InChIKeyWPCCJSLETMQZDD-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.91
Rot. Bonds9

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

N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide (PubChem CID 164612613) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide
PubChem CID164612613
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide
SMILESCOc1cc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C26H27N3O4/c1-31-23-14-18(15-24(32-2)25(23)33-3)29-22-11-7-5-9-20(22)26(30)27-13-12-17-16-28-21-10-6-4-8-19(17)21/h4-11,14-16,28-29H,12-13H2,1-3H3,(H,27,30)
InChIKeyWPCCJSLETMQZDD-UHFFFAOYSA-N
XLogP4.91
TPSA84.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide (CID 164612613) is N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide is COc1cc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide?
The InChIKey is WPCCJSLETMQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-31-23-14-18(15-24(32-2)25(23)33-3)29-22-11-7-5-9-20(22)26(30)27-13-12-17-16-28-21-10-6-4-8-19(17)21/h4-11,14-16,28-29H,12-13H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide is sourced from PubChem (CID 164612613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).