N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide

C18H24N2O — CID 43325579

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCN2)C1CC2CCC1C2
InChIInChI=1S/C18H24N2O/c1-11(16-9-12-2-3-13(16)8-12)20-18(21)15-4-5-17-14(10-15)6-7-19-17/h4-5,10-13,16,19H,2-3,6-9H2,1H3,(H,20,21)
InChIKeyKNYIBXOSKHIQMV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.21
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 43325579) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID43325579
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCN2)C1CC2CCC1C2
InChIInChI=1S/C18H24N2O/c1-11(16-9-12-2-3-13(16)8-12)20-18(21)15-4-5-17-14(10-15)6-7-19-17/h4-5,10-13,16,19H,2-3,6-9H2,1H3,(H,20,21)
InChIKeyKNYIBXOSKHIQMV-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 98620829
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612
N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938337
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43533899
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 166368495
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(carbamoylamino)benzamide
CID 78789513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide (CID 43325579) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CCN2)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is KNYIBXOSKHIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11(16-9-12-2-3-13(16)8-12)20-18(21)15-4-5-17-14(10-15)6-7-19-17/h4-5,10-13,16,19H,2-3,6-9H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 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]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 43325579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).