N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide

C18H24N2O2 — CID 72849598

IUPACN-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide
SMILESCCN(CC1CCOCC1)C(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C18H24N2O2/c1-3-20(13-14-7-10-22-11-8-14)18(21)16-5-4-15-6-9-19(2)17(15)12-16/h4-6,9,12,14H,3,7-8,10-11,13H2,1-2H3
InChIKeyOCRHTZCSADZUMG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.07
Rot. Bonds4

About N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide

N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide (PubChem CID 72849598) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide
PubChem CID72849598
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide
SMILESCCN(CC1CCOCC1)C(=O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C18H24N2O2/c1-3-20(13-14-7-10-22-11-8-14)18(21)16-5-4-15-6-9-19(2)17(15)12-16/h4-6,9,12,14H,3,7-8,10-11,13H2,1-2H3
InChIKeyOCRHTZCSADZUMG-UHFFFAOYSA-N
XLogP3.07
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide (CID 72849598) is N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide is CCN(CC1CCOCC1)C(=O)c1ccc2ccn(C)c2c1.
What is the InChIKey of N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide?
The InChIKey is OCRHTZCSADZUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-20(13-14-7-10-22-11-8-14)18(21)16-5-4-15-6-9-19(2)17(15)12-16/h4-6,9,12,14H,3,7-8,10-11,13H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide?
N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(oxan-4-ylmethyl)indole-6-carboxamide is sourced from PubChem (CID 72849598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).