tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate

C19H37N3O5 — CID 86640586

IUPACtert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CCC(C)(C)COC1CCCCO1)/C(N)=N\O
InChIInChI=1S/C19H37N3O5/c1-18(2,3)27-17(23)22(6)14(16(20)21-24)10-11-19(4,5)13-26-15-9-7-8-12-25-15/h14-15,24H,7-13H2,1-6H3,(H2,20,21)
InChIKeyNGOXPINCRFSGGN-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.32
Rot. Bonds8

About tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate

tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate (PubChem CID 86640586) has the molecular formula C19H37N3O5 and a molecular weight of 387.52 g/mol. Its IUPAC name is tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate
PubChem CID86640586
Molecular FormulaC19H37N3O5
Molecular Weight387.52 g/mol
Exact Mass387.27
IUPAC Nametert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CCC(C)(C)COC1CCCCO1)/C(N)=N\O
InChIInChI=1S/C19H37N3O5/c1-18(2,3)27-17(23)22(6)14(16(20)21-24)10-11-19(4,5)13-26-15-9-7-8-12-25-15/h14-15,24H,7-13H2,1-6H3,(H2,20,21)
InChIKeyNGOXPINCRFSGGN-UHFFFAOYSA-N
XLogP3.32
TPSA106.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

[2-(N'-hydroxycarbamimidoyl)-5,5-dimethyl-6-(oxan-2-yloxy)hexyl]carbamic acid
CID 173067222
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxan-2-yloxy)propanoate
CID 11315644
tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 58330029
5,5-dimethyl-6-(oxan-2-yloxy)hexan-1-amine
CID 11586665
5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
CID 129364883
2-[2,2,13,13-tetramethyl-14-(oxan-2-yloxy)tetradecoxy]oxane;2,2,13,13-tetramethyltetradecane-1,6,9,14-tetrol
CID 159010066
2-(2,2-dimethylhexoxy)oxane;ethane
CID 142212056
6,6-dimethyl-7-[(2R)-oxan-2-yl]oxyheptanenitrile
CID 129364886
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
3-amino-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 167720958
CID 88913892
CID 88913892

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate (CID 86640586) is tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(CCC(C)(C)COC1CCCCO1)/C(N)=N\O.
What is the InChIKey of tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate?
The InChIKey is NGOXPINCRFSGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O5/c1-18(2,3)27-17(23)22(6)14(16(20)21-24)10-11-19(4,5)13-26-15-9-7-8-12-25-15/h14-15,24H,7-13H2,1-6H3,(H2,20,21).
What are the key properties of tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate?
tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate has a molecular weight of 387.52 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1E)-1-amino-1-hydroxyimino-5,5-dimethyl-6-(oxan-2-yloxy)hexan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 86640586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).