tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate

C13H26F2N2O3 — CID 107257185

IUPACtert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
SMILESCC(O)CN(CCNC(C)C(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26F2N2O3/c1-9(18)8-17(12(19)20-13(3,4)5)7-6-16-10(2)11(14)15/h9-11,16,18H,6-8H2,1-5H3
InChIKeyYPCHSZXFVPSSOQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.85
Rot. Bonds7

About tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate

tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate (PubChem CID 107257185) has the molecular formula C13H26F2N2O3 and a molecular weight of 296.36 g/mol. Its IUPAC name is tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
PubChem CID107257185
Molecular FormulaC13H26F2N2O3
Molecular Weight296.36 g/mol
Exact Mass296.19
IUPAC Nametert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
SMILESCC(O)CN(CCNC(C)C(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26F2N2O3/c1-9(18)8-17(12(19)20-13(3,4)5)7-6-16-10(2)11(14)15/h9-11,16,18H,6-8H2,1-5H3
InChIKeyYPCHSZXFVPSSOQ-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
CID 107257085
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257285
tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 107257062
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257084
ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91296592
tert-butyl N-(2-hydroxypropyl)-N-[2-(thiolan-3-ylamino)ethyl]carbamate
CID 107257189
tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257164
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
CID 107257139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate (CID 107257185) is tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate is CC(O)CN(CCNC(C)C(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
The InChIKey is YPCHSZXFVPSSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O3/c1-9(18)8-17(12(19)20-13(3,4)5)7-6-16-10(2)11(14)15/h9-11,16,18H,6-8H2,1-5H3.
What are the key properties of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate has a molecular weight of 296.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 107257185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).