tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate

C15H25NO4 — CID 101384934

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate
SMILESCC=C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h8,10H,11H2,1-7H3
InChIKeyBRNQDHGAWDAKRC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate (PubChem CID 101384934) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate
PubChem CID101384934
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate
SMILESCC=C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h8,10H,11H2,1-7H3
InChIKeyBRNQDHGAWDAKRC-UHFFFAOYSA-N
XLogP3.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate 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-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate (CID 101384934) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate is CC=C=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate?
The InChIKey is BRNQDHGAWDAKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h8,10H,11H2,1-7H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate has a molecular weight of 283.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-penta-2,3-dienylcarbamate is sourced from PubChem (CID 101384934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).