[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate

C17H23NO2 — CID 102093380

IUPAC[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
SMILESC[C@]12CCC[C@](C)(CC1)C2OC(=O)Nc1ccccc1
InChIInChI=1S/C17H23NO2/c1-16-9-6-10-17(2,12-11-16)14(16)20-15(19)18-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19)/t14?,16-,17+
InChIKeyAXHATRDXSOMAOF-ZXFUBFMLSA-N
MW273.38 g/mol
LogP4.59
Rot. Bonds2

About [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate

[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate (PubChem CID 102093380) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
PubChem CID102093380
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate
SMILESC[C@]12CCC[C@](C)(CC1)C2OC(=O)Nc1ccccc1
InChIInChI=1S/C17H23NO2/c1-16-9-6-10-17(2,12-11-16)14(16)20-15(19)18-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19)/t14?,16-,17+
InChIKeyAXHATRDXSOMAOF-ZXFUBFMLSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Cyclopentanedimethanol, 1,1-bis(phenylcarbamate)
CID 72076
3-Phenylpropyl phenylcarbamate
CID 2254838
octahydro-1H-4,7-methanoinden-5-yl phenylcarbamate
CID 2976296
Cyclohexyl carbamate derivative 3
CID 54670072
Spiro(2.4)heptan-4-ol, carbanilate
CID 98190
Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
CID 58083
Carbanilic acid, (tricyclo(3.2.1.0(sup 2,4)octyl))methyl ester
CID 3056427
2-Methylcyclohexyl N-(M-tolyl)carbamate
CID 4431607
cyclopentyl N-(3-phenylphenyl)carbamate
CID 57397422
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate
CID 57399103
cycloheptyl N-(3-phenylphenyl)carbamate
CID 57400844
4-Phenylbutyl phenylcarbamate
CID 76312486

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
The IUPAC name of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate (CID 102093380) is [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate.
What is the SMILES notation for [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
The canonical SMILES for [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate is C[C@]12CCC[C@](C)(CC1)C2OC(=O)Nc1ccccc1.
What is the InChIKey of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
The InChIKey is AXHATRDXSOMAOF-ZXFUBFMLSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16-9-6-10-17(2,12-11-16)14(16)20-15(19)18-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19)/t14?,16-,17+.
What are the key properties of [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate?
[(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate has a molecular weight of 273.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-1,5-dimethyl-8-bicyclo[3.2.1]octanyl] N-phenylcarbamate is sourced from PubChem (CID 102093380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).