4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide

C20H22N2O4 — CID 4870182

IUPAC4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)NCCc3ccccc3)cc2c(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-24-17-12-15-14(18(25-2)19(17)26-3)11-16(22-15)20(23)21-10-9-13-7-5-4-6-8-13/h4-8,11-12,22H,9-10H2,1-3H3,(H,21,23)
InChIKeySNLLGCQOCHIFAH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds7

About 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide

4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 4870182) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID4870182
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1cc2[nH]c(C(=O)NCCc3ccccc3)cc2c(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-24-17-12-15-14(18(25-2)19(17)26-3)11-16(22-15)20(23)21-10-9-13-7-5-4-6-8-13/h4-8,11-12,22H,9-10H2,1-3H3,(H,21,23)
InChIKeySNLLGCQOCHIFAH-UHFFFAOYSA-N
XLogP3.17
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide (CID 4870182) is 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide is COc1cc2[nH]c(C(=O)NCCc3ccccc3)cc2c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is SNLLGCQOCHIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-17-12-15-14(18(25-2)19(17)26-3)11-16(22-15)20(23)21-10-9-13-7-5-4-6-8-13/h4-8,11-12,22H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 4870182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).