1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate

C16H19NO2 — CID 3056427

IUPAC1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC12CCC(C1)C1CC12
InChIInChI=1S/C16H19NO2/c18-15(17-12-4-2-1-3-5-12)19-10-16-7-6-11(9-16)13-8-14(13)16/h1-5,11,13-14H,6-10H2,(H,17,18)
InChIKeyLTQUXEZQIKGREG-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.67
Rot. Bonds3

About 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate

1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate (PubChem CID 3056427) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate.

Molecular Properties

Compound Name1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate
PubChem CID3056427
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC12CCC(C1)C1CC12
InChIInChI=1S/C16H19NO2/c18-15(17-12-4-2-1-3-5-12)19-10-16-7-6-11(9-16)13-8-14(13)16/h1-5,11,13-14H,6-10H2,(H,17,18)
InChIKeyLTQUXEZQIKGREG-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tricyclo[3.2.1.02,4]octanylmethyl 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

octahydro-1H-4,7-methanoinden-5-yl phenylcarbamate
CID 2976296
Cyclohexyl carbamate derivative 3
CID 54670072
[(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
N-(4-iodophenyl)cholesteryl 3-carbamate
CID 130265
5-bicyclo[2.2.1]hept-2-enylmethyl N-phenylcarbamate
CID 296903
Fmoc-aniline
CID 3962849
2-bicyclo[2.2.1]hept-5-enylmethyl N-(2-fluorophenyl)carbamate
CID 310533
(4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
CID 121329972
(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
CID 126703182
Bicyclo[2.2.1]hept-5-en-2-ylmethyl 4-methylphenylcarbamate
CID 306885
[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-phenylcarbamate
CID 5849804

Frequently Asked Questions

What is the IUPAC name of 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate?
The IUPAC name of 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate (CID 3056427) is 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate.
What is the SMILES notation for 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate?
The canonical SMILES for 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC12CCC(C1)C1CC12.
What is the InChIKey of 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate?
The InChIKey is LTQUXEZQIKGREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15(17-12-4-2-1-3-5-12)19-10-16-7-6-11(9-16)13-8-14(13)16/h1-5,11,13-14H,6-10H2,(H,17,18).
What are the key properties of 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate?
1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate has a molecular weight of 257.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate is sourced from PubChem (CID 3056427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).