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

C23H32N2O2 — CID 91289743

IUPAC5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
SMILESCCCCOc1ccc2[nH]c(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)cc2c1
InChIInChI=1S/C23H32N2O2/c1-5-6-11-27-17-7-8-18-15(12-17)13-19(24-18)20(26)25-21-22(2,3)16-9-10-23(21,4)14-16/h7-8,12-13,16,21,24H,5-6,9-11,14H2,1-4H3,(H,25,26)/t16?,21?,23-/m0/s1
InChIKeyDORIANCMLBDLJG-WWRGRJRASA-N
MW368.52 g/mol
LogP5.29
Rot. Bonds6

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

5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide (PubChem CID 91289743) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
PubChem CID91289743
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
SMILESCCCCOc1ccc2[nH]c(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)cc2c1
InChIInChI=1S/C23H32N2O2/c1-5-6-11-27-17-7-8-18-15(12-17)13-19(24-18)20(26)25-21-22(2,3)16-9-10-23(21,4)14-16/h7-8,12-13,16,21,24H,5-6,9-11,14H2,1-4H3,(H,25,26)/t16?,21?,23-/m0/s1
InChIKeyDORIANCMLBDLJG-WWRGRJRASA-N
XLogP5.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide (CID 91289743) is 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide is CCCCOc1ccc2[nH]c(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)cc2c1.
What is the InChIKey of 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The InChIKey is DORIANCMLBDLJG-WWRGRJRASA-N. The full InChI is InChI=1S/C23H32N2O2/c1-5-6-11-27-17-7-8-18-15(12-17)13-19(24-18)20(26)25-21-22(2,3)16-9-10-23(21,4)14-16/h7-8,12-13,16,21,24H,5-6,9-11,14H2,1-4H3,(H,25,26)/t16?,21?,23-/m0/s1.
What are the key properties of 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91289743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).