tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate

C14H25NO3 — CID 66707757

IUPACtert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OC(C)(C)C)C1CC=CCC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15(10-11-17-4)12-8-6-5-7-9-12/h5-6,12H,7-11H2,1-4H3
InChIKeyQNTGGHCEMZMXKH-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate

tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate (PubChem CID 66707757) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate
PubChem CID66707757
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OC(C)(C)C)C1CC=CCC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15(10-11-17-4)12-8-6-5-7-9-12/h5-6,12H,7-11H2,1-4H3
InChIKeyQNTGGHCEMZMXKH-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate (CID 66707757) is tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate is COCCN(C(=O)OC(C)(C)C)C1CC=CCC1.
What is the InChIKey of tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate?
The InChIKey is QNTGGHCEMZMXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-13(16)15(10-11-17-4)12-8-6-5-7-9-12/h5-6,12H,7-11H2,1-4H3.
What are the key properties of tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate?
tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohex-3-en-1-yl-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 66707757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).