(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

C26H39NO — CID 142519787

IUPAC(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC[C@@]1(C)CC2CC(C)(C(=O)NC3CCCCC3)CC(c3ccccc3)(C2)C1
InChIInChI=1S/C26H39NO/c1-4-24(2)15-20-16-25(3,23(28)27-22-13-9-6-10-14-22)19-26(17-20,18-24)21-11-7-5-8-12-21/h5,7-8,11-12,20,22H,4,6,9-10,13-19H2,1-3H3,(H,27,28)/t20?,24-,25?,26?/m0/s1
InChIKeyRPKILVIUZOCFDD-UYRDQSBXSA-N
MW381.60 g/mol
LogP6.39
Rot. Bonds4

About (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 142519787) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID142519787
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC[C@@]1(C)CC2CC(C)(C(=O)NC3CCCCC3)CC(c3ccccc3)(C2)C1
InChIInChI=1S/C26H39NO/c1-4-24(2)15-20-16-25(3,23(28)27-22-13-9-6-10-14-22)19-26(17-20,18-24)21-11-7-5-8-12-21/h5,7-8,11-12,20,22H,4,6,9-10,13-19H2,1-3H3,(H,27,28)/t20?,24-,25?,26?/m0/s1
InChIKeyRPKILVIUZOCFDD-UYRDQSBXSA-N
XLogP6.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754696
N-[4-(aminomethyl)cyclohexyl]-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519882
fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754729
N-cyclohexyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothioamide;methanamine
CID 162525710
methyl 7-(hydroxymethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxylate
CID 137436348
(7S)-N-(3,3-dimethylpiperidin-4-yl)-7-(ethoxymethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519870
(7S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-(fluoromethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519816
(1R,7R)-7-ethyl-N-(4-iminocyclohexyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166908964
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525913
chloroethane;N-[1-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)ethenyl]cyclohexanamine;methanamine
CID 142519904
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane
CID 162525574

Frequently Asked Questions

What is the IUPAC name of (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (CID 142519787) is (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is CC[C@@]1(C)CC2CC(C)(C(=O)NC3CCCCC3)CC(c3ccccc3)(C2)C1.
What is the InChIKey of (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is RPKILVIUZOCFDD-UYRDQSBXSA-N. The full InChI is InChI=1S/C26H39NO/c1-4-24(2)15-20-16-25(3,23(28)27-22-13-9-6-10-14-22)19-26(17-20,18-24)21-11-7-5-8-12-21/h5,7-8,11-12,20,22H,4,6,9-10,13-19H2,1-3H3,(H,27,28)/t20?,24-,25?,26?/m0/s1.
What are the key properties of (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 381.60 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 142519787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).