tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane

C16H34N2O6 — CID 161133632

IUPACtert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane
SMILESC.COCCNCCON(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O6.CH4/c1-14(2,3)22-12(18)17(13(19)23-15(4,5)6)21-11-9-16-8-10-20-7;/h16H,8-11H2,1-7H3;1H4
InChIKeyUMMZTVHIGWGXRQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.96
Rot. Bonds7

About tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane

tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane (PubChem CID 161133632) has the molecular formula C16H34N2O6 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane
PubChem CID161133632
Molecular FormulaC16H34N2O6
Molecular Weight350.46 g/mol
Exact Mass350.24
IUPAC Nametert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane
SMILESC.COCCNCCON(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O6.CH4/c1-14(2,3)22-12(18)17(13(19)23-15(4,5)6)21-11-9-16-8-10-20-7;/h16H,8-11H2,1-7H3;1H4
InChIKeyUMMZTVHIGWGXRQ-UHFFFAOYSA-N
XLogP2.96
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59259685
tert-butyl 2-[3-(2-methoxyethylamino)propylsulfanyl]acetate
CID 116688029
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
CID 107445990
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 129175990
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]-N-methylcarbamate
CID 172868636
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane?
The IUPAC name of tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane (CID 161133632) is tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane.
What is the SMILES notation for tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane?
The canonical SMILES for tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane is C.COCCNCCON(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane?
The InChIKey is UMMZTVHIGWGXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O6.CH4/c1-14(2,3)22-12(18)17(13(19)23-15(4,5)6)21-11-9-16-8-10-20-7;/h16H,8-11H2,1-7H3;1H4.
What are the key properties of tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane?
tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane has a molecular weight of 350.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane is sourced from PubChem (CID 161133632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).