tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate

C16H33NO3 — CID 118409061

IUPACtert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate
SMILESCCC(C)(CCNC(=O)OC(C)(C)C)OCCC(C)C
InChIInChI=1S/C16H33NO3/c1-8-16(7,19-12-9-13(2)3)10-11-17-14(18)20-15(4,5)6/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyRZUNWMOWQCQPNI-UHFFFAOYSA-N
MW287.44 g/mol
LogP4.13
Rot. Bonds8

About tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate

tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate (PubChem CID 118409061) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate
PubChem CID118409061
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Nametert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate
SMILESCCC(C)(CCNC(=O)OC(C)(C)C)OCCC(C)C
InChIInChI=1S/C16H33NO3/c1-8-16(7,19-12-9-13(2)3)10-11-17-14(18)20-15(4,5)6/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyRZUNWMOWQCQPNI-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-methyl-3-[3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentoxy]pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
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tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate (CID 118409061) is tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate is CCC(C)(CCNC(=O)OC(C)(C)C)OCCC(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate?
The InChIKey is RZUNWMOWQCQPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-8-16(7,19-12-9-13(2)3)10-11-17-14(18)20-15(4,5)6/h13H,8-12H2,1-7H3,(H,17,18).
What are the key properties of tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate?
tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate has a molecular weight of 287.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate is sourced from PubChem (CID 118409061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).