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

C19H24N2O2 — CID 119032779

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NC2CC3CCC2C3)c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-23-9-8-21-12-16(15-4-2-3-5-18(15)21)19(22)20-17-11-13-6-7-14(17)10-13/h2-5,12-14,17H,6-11H2,1H3,(H,20,22)
InChIKeyIFZLLYKYIBQOGO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.21
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide (PubChem CID 119032779) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
PubChem CID119032779
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NC2CC3CCC2C3)c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-23-9-8-21-12-16(15-4-2-3-5-18(15)21)19(22)20-17-11-13-6-7-14(17)10-13/h2-5,12-14,17H,6-11H2,1H3,(H,20,22)
InChIKeyIFZLLYKYIBQOGO-UHFFFAOYSA-N
XLogP3.21
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide (CID 119032779) is N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide is COCCn1cc(C(=O)NC2CC3CCC2C3)c2ccccc21.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide?
The InChIKey is IFZLLYKYIBQOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-9-8-21-12-16(15-4-2-3-5-18(15)21)19(22)20-17-11-13-6-7-14(17)10-13/h2-5,12-14,17H,6-11H2,1H3,(H,20,22).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide is sourced from PubChem (CID 119032779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).