N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H24N2O2 — CID 119337074

IUPACN-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1cc2ccccc2o1)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C19H24N2O2/c1-21(12-15-10-14-7-3-5-9-18(14)23-15)19(22)17-11-13-6-2-4-8-16(13)20-17/h3,5,7,9-10,13,16-17,20H,2,4,6,8,11-12H2,1H3
InChIKeyLKKZFPXWERUHMZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.31
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119337074) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119337074
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1cc2ccccc2o1)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C19H24N2O2/c1-21(12-15-10-14-7-3-5-9-18(14)23-15)19(22)17-11-13-6-2-4-8-16(13)20-17/h3,5,7,9-10,13,16-17,20H,2,4,6,8,11-12H2,1H3
InChIKeyLKKZFPXWERUHMZ-UHFFFAOYSA-N
XLogP3.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119958215
N-[2-(1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119332487
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164
N-[(3-hydroxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60954154
N-[(2-chlorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119267603
N-[(2-methoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119266864
N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43564520
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119836304
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119297056
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337338
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807305
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119266748

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119337074) is N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CN(Cc1cc2ccccc2o1)C(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is LKKZFPXWERUHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(12-15-10-14-7-3-5-9-18(14)23-15)19(22)17-11-13-6-2-4-8-16(13)20-17/h3,5,7,9-10,13,16-17,20H,2,4,6,8,11-12H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119337074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).