tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate

C13H27NO3 — CID 162438546

IUPACtert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
SMILESCCCC(C)N(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO3/c1-7-8-10(2)14(9-11(3)15)12(16)17-13(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeySPCDICWOBVWFRG-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.79
Rot. Bonds5

About tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate

tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate (PubChem CID 162438546) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
PubChem CID162438546
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nametert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
SMILESCCCC(C)N(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO3/c1-7-8-10(2)14(9-11(3)15)12(16)17-13(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeySPCDICWOBVWFRG-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-(3-cyclopentyl-3-oxopropyl)-N-pentan-2-ylcarbamate
CID 121443463
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
2-methylpropyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 139916789
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
CID 10355020
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate (CID 162438546) is tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate is CCCC(C)N(CC(C)O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate?
The InChIKey is SPCDICWOBVWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-7-8-10(2)14(9-11(3)15)12(16)17-13(4,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate?
tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate has a molecular weight of 245.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate is sourced from PubChem (CID 162438546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).