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

C18H22N2O — CID 43399242

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O/c1-11(15-9-12-6-7-13(15)8-12)20-18(21)16-10-19-17-5-3-2-4-14(16)17/h2-5,10-13,15,19H,6-9H2,1H3,(H,20,21)
InChIKeySIKMZUMOUDUBIO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.72
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide (PubChem CID 43399242) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
PubChem CID43399242
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O/c1-11(15-9-12-6-7-13(15)8-12)20-18(21)16-10-19-17-5-3-2-4-14(16)17/h2-5,10-13,15,19H,6-9H2,1H3,(H,20,21)
InChIKeySIKMZUMOUDUBIO-UHFFFAOYSA-N
XLogP3.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-benzothiophene-3-carboxamide
CID 98272034
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide
CID 46559714
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
CID 6545059
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 136689166
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 129376930
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[1-[1-[(2S)-2-amino-1-hydroxypropyl]piperidin-4-yl]ethyl]-1H-indole-3-carboxamide
CID 146209267

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide (CID 43399242) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide is CC(NC(=O)c1c[nH]c2ccccc12)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is SIKMZUMOUDUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(15-9-12-6-7-13(15)8-12)20-18(21)16-10-19-17-5-3-2-4-14(16)17/h2-5,10-13,15,19H,6-9H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 43399242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).