tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate

C18H25NO2 — CID 164511132

IUPACtert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C18H25NO2/c1-18(2,3)21-17(20)19(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4,6-8,10-12,16H,5,9,13-14H2,1-3H3
InChIKeyVUJARCVYWONZJD-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.53
Rot. Bonds3

About tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate

tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate (PubChem CID 164511132) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate
PubChem CID164511132
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nametert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1C=CCCC1
InChIInChI=1S/C18H25NO2/c1-18(2,3)21-17(20)19(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4,6-8,10-12,16H,5,9,13-14H2,1-3H3
InChIKeyVUJARCVYWONZJD-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate (CID 164511132) is tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C1C=CCCC1.
What is the InChIKey of tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate?
The InChIKey is VUJARCVYWONZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2,3)21-17(20)19(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4,6-8,10-12,16H,5,9,13-14H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate?
tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate has a molecular weight of 287.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-cyclohex-2-en-1-ylcarbamate is sourced from PubChem (CID 164511132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).