tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate

C15H30N4O3 — CID 166914726

IUPACtert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CN=[N+]=[N-])COCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N4O3/c1-13(2,3)22-12(20)17-8-14(4,5)10-21-11-15(6,7)9-18-19-16/h8-11H2,1-7H3,(H,17,20)
InChIKeyXOJYKUHYHZITEB-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.89
Rot. Bonds8

About tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate

tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate (PubChem CID 166914726) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
PubChem CID166914726
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Nametert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CN=[N+]=[N-])COCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N4O3/c1-13(2,3)22-12(20)17-8-14(4,5)10-21-11-15(6,7)9-18-19-16/h8-11H2,1-7H3,(H,17,20)
InChIKeyXOJYKUHYHZITEB-UHFFFAOYSA-N
XLogP3.89
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
CID 123711756
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CID 138393789
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
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CID 58981724
3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
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tert-butyl N-(2-azidopropyl)carbamate
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tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963
(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 102379954
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate (CID 166914726) is tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate is CC(C)(CN=[N+]=[N-])COCC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate?
The InChIKey is XOJYKUHYHZITEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-13(2,3)22-12(20)17-8-14(4,5)10-21-11-15(6,7)9-18-19-16/h8-11H2,1-7H3,(H,17,20).
What are the key properties of tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate?
tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 166914726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).