tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate

C20H26F2N2O4 — CID 145406188

IUPACtert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C(N2CCOCC2)CO[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C20H26F2N2O4/c1-20(2,3)28-19(25)23-17-11-14(24-6-8-26-9-7-24)12-27-18(17)15-10-13(21)4-5-16(15)22/h4-5,10-11,17-18H,6-9,12H2,1-3H3,(H,23,25)/t17-,18+/m0/s1
InChIKeyUHYYFPLISCERFL-ZWKOTPCHSA-N
MW396.43 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate

tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate (PubChem CID 145406188) has the molecular formula C20H26F2N2O4 and a molecular weight of 396.43 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate
PubChem CID145406188
Molecular FormulaC20H26F2N2O4
Molecular Weight396.43 g/mol
Exact Mass396.19
IUPAC Nametert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C(N2CCOCC2)CO[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C20H26F2N2O4/c1-20(2,3)28-19(25)23-17-11-14(24-6-8-26-9-7-24)12-27-18(17)15-10-13(21)4-5-16(15)22/h4-5,10-11,17-18H,6-9,12H2,1-3H3,(H,23,25)/t17-,18+/m0/s1
InChIKeyUHYYFPLISCERFL-ZWKOTPCHSA-N
XLogP3.15
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)-
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tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-methylideneoxan-3-yl]carbamate
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tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate
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Omarigliptin Impurity 28
CID 118613910
2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
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2,2,2-trifluoro-N-[(1S,2S)-1-[(3S)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate (CID 145406188) is tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C=C(N2CCOCC2)CO[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate?
The InChIKey is UHYYFPLISCERFL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H26F2N2O4/c1-20(2,3)28-19(25)23-17-11-14(24-6-8-26-9-7-24)12-27-18(17)15-10-13(21)4-5-16(15)22/h4-5,10-11,17-18H,6-9,12H2,1-3H3,(H,23,25)/t17-,18+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate?
tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate has a molecular weight of 396.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-3,6-dihydro-2H-pyran-3-yl]carbamate is sourced from PubChem (CID 145406188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).