(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C24H32N2O — CID 166908964

IUPAC(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILES[H]N=C1CCC(NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CC)C4)CC1
InChIInChI=1S/C24H32N2O/c1-2-23-13-17-12-22(15-23,18-6-4-3-5-7-18)16-24(23,14-17)21(27)26-20-10-8-19(25)9-11-20/h3-7,17,20,25H,2,8-16H2,1H3,(H,26,27)/b25-19-/t17?,20?,22-,23-,24?/m1/s1
InChIKeyLXYVIIIYIONHBU-FDRPMQISSA-N
MW364.53 g/mol
LogP4.99
Rot. Bonds4

About (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166908964) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166908964
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILES[H]N=C1CCC(NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CC)C4)CC1
InChIInChI=1S/C24H32N2O/c1-2-23-13-17-12-22(15-23,18-6-4-3-5-7-18)16-24(23,14-17)21(27)26-20-10-8-19(25)9-11-20/h3-7,17,20,25H,2,8-16H2,1H3,(H,26,27)/b25-19-/t17?,20?,22-,23-,24?/m1/s1
InChIKeyLXYVIIIYIONHBU-FDRPMQISSA-N
XLogP4.99
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166908964) is (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is [H]N=C1CCC(NC(=O)C23CC4C[C@](c5ccccc5)(C2)C[C@@]3(CC)C4)CC1.
What is the InChIKey of (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is LXYVIIIYIONHBU-FDRPMQISSA-N. The full InChI is InChI=1S/C24H32N2O/c1-2-23-13-17-12-22(15-23,18-6-4-3-5-7-18)16-24(23,14-17)21(27)26-20-10-8-19(25)9-11-20/h3-7,17,20,25H,2,8-16H2,1H3,(H,26,27)/b25-19-/t17?,20?,22-,23-,24?/m1/s1.
What are the key properties of (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166908964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).