tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate

C16H31NO3 — CID 169113993

IUPACtert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate
SMILESC=C(C(C)COCC)N(CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-9-19-11-13(4)14(5)17(10-12(2)3)15(18)20-16(6,7)8/h12-13H,5,9-11H2,1-4,6-8H3
InChIKeyGJHJEBIRRYMVNJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.07
Rot. Bonds7

About tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate

tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate (PubChem CID 169113993) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate
PubChem CID169113993
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate
SMILESC=C(C(C)COCC)N(CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-9-19-11-13(4)14(5)17(10-12(2)3)15(18)20-16(6,7)8/h12-13H,5,9-11H2,1-4,6-8H3
InChIKeyGJHJEBIRRYMVNJ-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
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tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
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tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl 2-(ethoxymethyl)-3,3-dimethylbutanoate
CID 139783309
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate
CID 10904223

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate (CID 169113993) is tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate is C=C(C(C)COCC)N(CC(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate?
The InChIKey is GJHJEBIRRYMVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-9-19-11-13(4)14(5)17(10-12(2)3)15(18)20-16(6,7)8/h12-13H,5,9-11H2,1-4,6-8H3.
What are the key properties of tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate?
tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethoxy-3-methylbut-1-en-2-yl)-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 169113993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).