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

C16H29NO4 — CID 14143447

IUPACtert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=CC(CCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-9-11-12(10-2)17(13(18)20-15(3,4)5)14(19)21-16(6,7)8/h10,12H,2,9,11H2,1,3-8H3
InChIKeyIHKCLGOVTHTVJE-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.51
Rot. Bonds4

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

tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 14143447) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID14143447
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=CC(CCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-9-11-12(10-2)17(13(18)20-15(3,4)5)14(19)21-16(6,7)8/h10,12H,2,9,11H2,1,3-8H3
InChIKeyIHKCLGOVTHTVJE-UHFFFAOYSA-N
XLogP4.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-hex-1-en-3-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

Related Compounds

tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate
CID 143576868
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 175182168
(3S)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(2-hydroxyethyl)pent-4-enoic acid
CID 89422452
tert-butyl N-hydroxy-N-(5-methylhex-1-en-3-yl)carbamate
CID 11593809
tert-butyl 2-[acetyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 164725863
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
ethyl 2-[3-[2-[(2-ethoxy-2-oxoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pent-4-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxoacetate
CID 135222481
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 14143447) is tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is C=CC(CCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is IHKCLGOVTHTVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-9-11-12(10-2)17(13(18)20-15(3,4)5)14(19)21-16(6,7)8/h10,12H,2,9,11H2,1,3-8H3.
What are the key properties of tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 14143447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).