propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate

C13H22N2O3 — CID 156832386

IUPACpropan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate
SMILESCC(C)OC(=O)NC1C2CCC1CC(C(N)=O)C2
InChIInChI=1S/C13H22N2O3/c1-7(2)18-13(17)15-11-8-3-4-9(11)6-10(5-8)12(14)16/h7-11H,3-6H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVOBAEDJHOVEMAK-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.41
Rot. Bonds3

About propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate

propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate (PubChem CID 156832386) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate
PubChem CID156832386
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namepropan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate
SMILESCC(C)OC(=O)NC1C2CCC1CC(C(N)=O)C2
InChIInChI=1S/C13H22N2O3/c1-7(2)18-13(17)15-11-8-3-4-9(11)6-10(5-8)12(14)16/h7-11H,3-6H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVOBAEDJHOVEMAK-UHFFFAOYSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate
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propan-2-yl N-[(1S,2S)-2-(1-fluoroethyl)cyclopropyl]carbamate
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bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
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CID 175988294

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate?
The IUPAC name of propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate (CID 156832386) is propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate is CC(C)OC(=O)NC1C2CCC1CC(C(N)=O)C2.
What is the InChIKey of propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate?
The InChIKey is VOBAEDJHOVEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-7(2)18-13(17)15-11-8-3-4-9(11)6-10(5-8)12(14)16/h7-11H,3-6H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate?
propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate has a molecular weight of 254.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-carbamoyl-8-bicyclo[3.2.1]octanyl)carbamate is sourced from PubChem (CID 156832386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).