tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate

C11H23NO3 — CID 23122203

IUPACtert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
SMILESCC(O)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(13)7-6-8-12(5)10(14)15-11(2,3)4/h9,13H,6-8H2,1-5H3
InChIKeyZYHJACITZJJLIT-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate

tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate (PubChem CID 23122203) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
PubChem CID23122203
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
SMILESCC(O)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(13)7-6-8-12(5)10(14)15-11(2,3)4/h9,13H,6-8H2,1-5H3
InChIKeyZYHJACITZJJLIT-UHFFFAOYSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-(2-aminopropyl)-N-(4-hydroxypentyl)carbamate
CID 87126598
tert-butyl N-(2-aminopropyl)-N-[(4S)-4-hydroxypentyl]carbamate
CID 87126597
(2S)-2-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 87572620
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
CID 143215309
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
[2-hydroxy-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] acetate
CID 170985950
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate (CID 23122203) is tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate is CC(O)CCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate?
The InChIKey is ZYHJACITZJJLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(13)7-6-8-12(5)10(14)15-11(2,3)4/h9,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate?
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate has a molecular weight of 217.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate is sourced from PubChem (CID 23122203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).