N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide

C19H24N2O — CID 46559714

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C19H24N2O/c1-12(16-10-13-7-8-14(16)9-13)20-19(22)17-11-21(2)18-6-4-3-5-15(17)18/h3-6,11-14,16H,7-10H2,1-2H3,(H,20,22)
InChIKeyJXAPBYWDCKHHBP-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide (PubChem CID 46559714) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide
PubChem CID46559714
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C19H24N2O/c1-12(16-10-13-7-8-14(16)9-13)20-19(22)17-11-21(2)18-6-4-3-5-15(17)18/h3-6,11-14,16H,7-10H2,1-2H3,(H,20,22)
InChIKeyJXAPBYWDCKHHBP-UHFFFAOYSA-N
XLogP3.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1-methylindol-3-yl)propanamide
CID 124828756
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
CID 43399242
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 98284311
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 129376930
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 98296051
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518613
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 113240764

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide (CID 46559714) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide is CC(NC(=O)c1cn(C)c2ccccc12)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is JXAPBYWDCKHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12(16-10-13-7-8-14(16)9-13)20-19(22)17-11-21(2)18-6-4-3-5-15(17)18/h3-6,11-14,16H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 46559714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).