N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

C16H22N2O2 — CID 80566431

IUPACN-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-18(11-12-6-8-20-9-7-12)16(19)14-10-17-15-5-3-2-4-13(14)15/h2-5,12,14,17H,6-11H2,1H3
InChIKeyWEILPGMUZQITHZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566431) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566431
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-18(11-12-6-8-20-9-7-12)16(19)14-10-17-15-5-3-2-4-13(14)15/h2-5,12,14,17H,6-11H2,1H3
InChIKeyWEILPGMUZQITHZ-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80566431) is N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is CN(CC1CCOCC1)C(=O)C1CNc2ccccc21.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is WEILPGMUZQITHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(11-12-6-8-20-9-7-12)16(19)14-10-17-15-5-3-2-4-13(14)15/h2-5,12,14,17H,6-11H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).