5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide

C17H22N2O3 — CID 51497846

IUPAC5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCOC3)c(C)c2c1
InChIInChI=1S/C17H22N2O3/c1-3-22-13-6-7-15-14(9-13)11(2)16(19-15)17(20)18-12-5-4-8-21-10-12/h6-7,9,12,19H,3-5,8,10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyONCGEFCLVLWMBV-GFCCVEGCSA-N
MW302.37 g/mol
LogP2.78
Rot. Bonds4

About 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide

5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide (PubChem CID 51497846) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
PubChem CID51497846
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCOC3)c(C)c2c1
InChIInChI=1S/C17H22N2O3/c1-3-22-13-6-7-15-14(9-13)11(2)16(19-15)17(20)18-12-5-4-8-21-10-12/h6-7,9,12,19H,3-5,8,10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyONCGEFCLVLWMBV-GFCCVEGCSA-N
XLogP2.78
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide (CID 51497846) is 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide is CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCCOC3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The InChIKey is ONCGEFCLVLWMBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-22-13-6-7-15-14(9-13)11(2)16(19-15)17(20)18-12-5-4-8-21-10-12/h6-7,9,12,19H,3-5,8,10H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51497846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).