5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide

C20H26N2O — CID 91561001

IUPAC5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC3C(C)(C)C4CC[C@]3(C)C4)cc2c1
InChIInChI=1S/C20H26N2O/c1-12-5-6-15-13(9-12)10-16(21-15)17(23)22-18-19(2,3)14-7-8-20(18,4)11-14/h5-6,9-10,14,18,21H,7-8,11H2,1-4H3,(H,22,23)/t14?,18?,20-/m1/s1
InChIKeyHVOAIGYOWYEPFH-FPMRRHDISA-N
MW310.44 g/mol
LogP4.42
Rot. Bonds2

About 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide

5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide (PubChem CID 91561001) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
PubChem CID91561001
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC3C(C)(C)C4CC[C@]3(C)C4)cc2c1
InChIInChI=1S/C20H26N2O/c1-12-5-6-15-13(9-12)10-16(21-15)17(23)22-18-19(2,3)14-7-8-20(18,4)11-14/h5-6,9-10,14,18,21H,7-8,11H2,1-4H3,(H,22,23)/t14?,18?,20-/m1/s1
InChIKeyHVOAIGYOWYEPFH-FPMRRHDISA-N
XLogP4.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide (CID 91561001) is 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NC3C(C)(C)C4CC[C@]3(C)C4)cc2c1.
What is the InChIKey of 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The InChIKey is HVOAIGYOWYEPFH-FPMRRHDISA-N. The full InChI is InChI=1S/C20H26N2O/c1-12-5-6-15-13(9-12)10-16(21-15)17(23)22-18-19(2,3)14-7-8-20(18,4)11-14/h5-6,9-10,14,18,21H,7-8,11H2,1-4H3,(H,22,23)/t14?,18?,20-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91561001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).