5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide

C18H18N2O2 — CID 2742896

IUPAC5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C18H18N2O2/c1-22-15-7-8-16-14(11-15)12-17(20-16)18(21)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)
InChIKeyXYNNXYRBALYADO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.15
Rot. Bonds5

About 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide

5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 2742896) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID2742896
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C18H18N2O2/c1-22-15-7-8-16-14(11-15)12-17(20-16)18(21)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)
InChIKeyXYNNXYRBALYADO-UHFFFAOYSA-N
XLogP3.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide (CID 2742896) is 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCc3ccccc3)cc2c1.
What is the InChIKey of 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is XYNNXYRBALYADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-15-7-8-16-14(11-15)12-17(20-16)18(21)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21).
What are the key properties of 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide?
5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 2742896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).