tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C14H25NO4 — CID 14143446

IUPACtert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=CC(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-9-10(2)15(11(16)18-13(3,4)5)12(17)19-14(6,7)8/h9-10H,1H2,2-8H3
InChIKeyVJWJIZNZCOEXAJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.73
Rot. Bonds2

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

tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 14143446) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID14143446
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=CC(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-9-10(2)15(11(16)18-13(3,4)5)12(17)19-14(6,7)8/h9-10H,1H2,2-8H3
InChIKeyVJWJIZNZCOEXAJ-UHFFFAOYSA-N
XLogP3.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 14143446) is tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is C=CC(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is VJWJIZNZCOEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9-10(2)15(11(16)18-13(3,4)5)12(17)19-14(6,7)8/h9-10H,1H2,2-8H3.
What are the key properties of tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 14143446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).