tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate

C18H33NO2 — CID 122495761

IUPACtert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CN(C(=O)OC(C)(C)C)C1/C=C\CCCCC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)14-19(16(20)21-18(4,5)6)15-12-10-8-7-9-11-13-15/h10,12,15H,7-9,11,13-14H2,1-6H3/b12-10-
InChIKeyODQZBVKMRXHXGJ-BENRWUELSA-N
MW295.47 g/mol
LogP5.16
Rot. Bonds2

About tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate

tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate (PubChem CID 122495761) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
PubChem CID122495761
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Nametert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CN(C(=O)OC(C)(C)C)C1/C=C\CCCCC1
InChIInChI=1S/C18H33NO2/c1-17(2,3)14-19(16(20)21-18(4,5)6)15-12-10-8-7-9-11-13-15/h10,12,15H,7-9,11,13-14H2,1-6H3/b12-10-
InChIKeyODQZBVKMRXHXGJ-BENRWUELSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate 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

tert-butyl N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-cyclohex-2-en-1-ylcarbamate
CID 53349204
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
4-[[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166513792
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate
CID 118459009
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 177239965
tert-butyl N-cyclohexyl-N-[2-(trioxidanylsulfanyl)ethyl]carbamate
CID 58676250
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate (CID 122495761) is tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate is CC(C)(C)CN(C(=O)OC(C)(C)C)C1/C=C\CCCCC1.
What is the InChIKey of tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The InChIKey is ODQZBVKMRXHXGJ-BENRWUELSA-N. The full InChI is InChI=1S/C18H33NO2/c1-17(2,3)14-19(16(20)21-18(4,5)6)15-12-10-8-7-9-11-13-15/h10,12,15H,7-9,11,13-14H2,1-6H3/b12-10-.
What are the key properties of tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate has a molecular weight of 295.47 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 122495761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).