[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate

C19H24N2O3 — CID 53301160

IUPAC[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CC2CC1[C@H]1CCCCN1C2=O
InChIInChI=1S/C19H24N2O3/c22-18-14-10-15(16-8-4-5-9-21(16)18)17(11-14)24-19(23)20-12-13-6-2-1-3-7-13/h1-3,6-7,14-17H,4-5,8-12H2,(H,20,23)/t14?,15?,16-,17?/m1/s1
InChIKeyKTPKEMWWSGNOKV-ONNPGMOUSA-N
MW328.41 g/mol
LogP2.70
Rot. Bonds3

About [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate

[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate (PubChem CID 53301160) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate
PubChem CID53301160
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC1CC2CC1[C@H]1CCCCN1C2=O
InChIInChI=1S/C19H24N2O3/c22-18-14-10-15(16-8-4-5-9-21(16)18)17(11-14)24-19(23)20-12-13-6-2-1-3-7-13/h1-3,6-7,14-17H,4-5,8-12H2,(H,20,23)/t14?,15?,16-,17?/m1/s1
InChIKeyKTPKEMWWSGNOKV-ONNPGMOUSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-aminocyclohexyl) N-benzylcarbamate
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[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
[2-(methylamino)cyclohexyl] N-benzylcarbamate
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N-benzylcyclopentanecarboxamide
CID 835634
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[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
CID 175263184
[(2S,7S)-1-carbamoyl-2-adamantyl] N-benzylcarbamate
CID 91600433
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
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2-(benzylamino)azepane-1-carboxylic acid
CID 69150253

Frequently Asked Questions

What is the IUPAC name of [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate?
The IUPAC name of [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate (CID 53301160) is [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate.
What is the SMILES notation for [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate?
The canonical SMILES for [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate is O=C(NCc1ccccc1)OC1CC2CC1[C@H]1CCCCN1C2=O.
What is the InChIKey of [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate?
The InChIKey is KTPKEMWWSGNOKV-ONNPGMOUSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18-14-10-15(16-8-4-5-9-21(16)18)17(11-14)24-19(23)20-12-13-6-2-1-3-7-13/h1-3,6-7,14-17H,4-5,8-12H2,(H,20,23)/t14?,15?,16-,17?/m1/s1.
What are the key properties of [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate?
[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate has a molecular weight of 328.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate is sourced from PubChem (CID 53301160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).