tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate

C14H25NO3 — CID 177317159

IUPACtert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate
SMILESC=C(C)CN(C(=O)OC(C)(C)C)C1CCOCC1
InChIInChI=1S/C14H25NO3/c1-11(2)10-15(12-6-8-17-9-7-12)13(16)18-14(3,4)5/h12H,1,6-10H2,2-5H3
InChIKeyHHZNCGLITIXFNV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate

tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate (PubChem CID 177317159) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate
PubChem CID177317159
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate
SMILESC=C(C)CN(C(=O)OC(C)(C)C)C1CCOCC1
InChIInChI=1S/C14H25NO3/c1-11(2)10-15(12-6-8-17-9-7-12)13(16)18-14(3,4)5/h12H,1,6-10H2,2-5H3
InChIKeyHHZNCGLITIXFNV-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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'}

Analyze tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
CID 155630413
tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
CID 103894802
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl 2-[(2-methoxyacetyl)-(oxan-4-yl)amino]acetate
CID 126827438
tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
CID 165465373
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
CID 129433606
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate (CID 177317159) is tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate is C=C(C)CN(C(=O)OC(C)(C)C)C1CCOCC1.
What is the InChIKey of tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate?
The InChIKey is HHZNCGLITIXFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)10-15(12-6-8-17-9-7-12)13(16)18-14(3,4)5/h12H,1,6-10H2,2-5H3.
What are the key properties of tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate?
tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate is sourced from PubChem (CID 177317159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).