1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide

C16H20N2O3 — CID 71840739

IUPAC1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide
SMILESCCN1C(=O)Cc2cc(C(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C16H20N2O3/c1-2-18-14-6-5-11(8-12(14)9-15(18)19)16(20)17-10-13-4-3-7-21-13/h5-6,8,13H,2-4,7,9-10H2,1H3,(H,17,20)
InChIKeyWEAKAAGKDSNXII-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.50
Rot. Bonds4

About 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide

1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide (PubChem CID 71840739) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide
PubChem CID71840739
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide
SMILESCCN1C(=O)Cc2cc(C(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C16H20N2O3/c1-2-18-14-6-5-11(8-12(14)9-15(18)19)16(20)17-10-13-4-3-7-21-13/h5-6,8,13H,2-4,7,9-10H2,1H3,(H,17,20)
InChIKeyWEAKAAGKDSNXII-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide?
The IUPAC name of 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide (CID 71840739) is 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide is CCN1C(=O)Cc2cc(C(=O)NCC3CCCO3)ccc21.
What is the InChIKey of 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide?
The InChIKey is WEAKAAGKDSNXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-18-14-6-5-11(8-12(14)9-15(18)19)16(20)17-10-13-4-3-7-21-13/h5-6,8,13H,2-4,7,9-10H2,1H3,(H,17,20).
What are the key properties of 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide?
1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-indole-5-carboxamide is sourced from PubChem (CID 71840739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).