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

C16H20N2O2 — CID 63707249

IUPACN-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c1-18(11-12-6-8-20-9-7-12)16(19)15-10-13-4-2-3-5-14(13)17-15/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyZJBWYSJBBFKDAG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.67
Rot. Bonds3

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

N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 63707249) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID63707249
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O2/c1-18(11-12-6-8-20-9-7-12)16(19)15-10-13-4-2-3-5-14(13)17-15/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyZJBWYSJBBFKDAG-UHFFFAOYSA-N
XLogP2.67
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63727606
N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 43611577
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 90606973
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 159882608
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110752226
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
CID 26444163
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide (CID 63707249) is N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide is CN(CC1CCOCC1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is ZJBWYSJBBFKDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(11-12-6-8-20-9-7-12)16(19)15-10-13-4-2-3-5-14(13)17-15/h2-5,10,12,17H,6-9,11H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63707249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).