tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C19H33NO4 — CID 66707503

IUPACtert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCC1CC=CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO4/c1-18(2,3)23-16(21)20(17(22)24-19(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-8,15H,9-14H2,1-6H3
InChIKeyWXFPINWADCNKLF-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.30
Rot. Bonds4

About tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 66707503) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID66707503
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Nametert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCC1CC=CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO4/c1-18(2,3)23-16(21)20(17(22)24-19(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-8,15H,9-14H2,1-6H3
InChIKeyWXFPINWADCNKLF-UHFFFAOYSA-N
XLogP5.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 66707503) is tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(CCCC1CC=CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is WXFPINWADCNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-18(2,3)23-16(21)20(17(22)24-19(4,5)6)14-10-13-15-11-8-7-9-12-15/h7-8,15H,9-14H2,1-6H3.
What are the key properties of tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 339.48 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclohex-3-en-1-ylpropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 66707503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).