(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate

C17H23NO2 — CID 565627

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate
SMILESCC1(C)C2CCC1(C)C(OC(=O)Nc1ccccc1)C2
InChIInChI=1S/C17H23NO2/c1-16(2)12-9-10-17(16,3)14(11-12)20-15(19)18-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,19)
InChIKeyQTKGGAPMBBAZOD-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.45
Rot. Bonds2

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate (PubChem CID 565627) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate
PubChem CID565627
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate
SMILESCC1(C)C2CCC1(C)C(OC(=O)Nc1ccccc1)C2
InChIInChI=1S/C17H23NO2/c1-16(2)12-9-10-17(16,3)14(11-12)20-15(19)18-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,19)
InChIKeyQTKGGAPMBBAZOD-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl N-phenylglycinate
CID 5133457
octahydro-1H-4,7-methanoinden-5-yl phenylcarbamate
CID 2976296
2-({2-[(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}amino)ethyl phenylcarbamate
CID 3403787
Cyclohexyl carbamate derivative 3
CID 54670072
Spiro(2.4)heptan-4-ol, carbanilate
CID 98190
Carbanilic acid, (tricyclo(3.2.1.0(sup 2,4)octyl))methyl ester
CID 3056427
[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-phenylcarbamate
CID 10577554
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate
CID 57399103
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate
CID 57402605
[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate
CID 156602625
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate
CID 51682677
2-Isopropyl-5-methylcyclohexyl phenylcarbamate
CID 10265438

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate (CID 565627) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate is CC1(C)C2CCC1(C)C(OC(=O)Nc1ccccc1)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate?
The InChIKey is QTKGGAPMBBAZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2)12-9-10-17(16,3)14(11-12)20-15(19)18-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,19).
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate has a molecular weight of 273.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-phenylcarbamate is sourced from PubChem (CID 565627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).