propan-2-yl N-cyclooctylcarbamate

C12H23NO2 — CID 116653938

IUPACpropan-2-yl N-cyclooctylcarbamate
SMILESCC(C)OC(=O)NC1CCCCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)15-12(14)13-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyBLHONLYKYGWXML-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.23
Rot. Bonds2

About propan-2-yl N-cyclooctylcarbamate

propan-2-yl N-cyclooctylcarbamate (PubChem CID 116653938) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is propan-2-yl N-cyclooctylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-cyclooctylcarbamate
PubChem CID116653938
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepropan-2-yl N-cyclooctylcarbamate
SMILESCC(C)OC(=O)NC1CCCCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)15-12(14)13-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyBLHONLYKYGWXML-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
CID 130694028
3-(propan-2-yloxycarbonylamino)cyclohexane-1-carboxylic acid
CID 63044385
methyl N-cyclohexadecylcarbamate
CID 131977131
propan-2-ylcarbamoyl N-cyclohexylcarbamate
CID 154236264
cyclopentylcarbamoperoxoic acid
CID 143557914
propan-2-yl N-[(3S)-1-cyclopropylsulfonylazepan-3-yl]carbamate
CID 96582119
propan-2-yl N-(1-methylazetidin-3-yl)carbamate
CID 131006466
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
propan-2-yl N-cyclohex-3-en-1-ylcarbamate
CID 116656490
bis(N-cyclohexyl-2,2-dimethylpropanamide);bis(propan-2-yl 2,2-dimethylpropanoate);2,2,4,4-tetramethylpentan-3-one
CID 161458089

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-cyclooctylcarbamate?
The IUPAC name of propan-2-yl N-cyclooctylcarbamate (CID 116653938) is propan-2-yl N-cyclooctylcarbamate.
What is the SMILES notation for propan-2-yl N-cyclooctylcarbamate?
The canonical SMILES for propan-2-yl N-cyclooctylcarbamate is CC(C)OC(=O)NC1CCCCCCC1.
What is the InChIKey of propan-2-yl N-cyclooctylcarbamate?
The InChIKey is BLHONLYKYGWXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)15-12(14)13-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of propan-2-yl N-cyclooctylcarbamate?
propan-2-yl N-cyclooctylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-cyclooctylcarbamate is sourced from PubChem (CID 116653938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).