2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate

C18H21F3N2O7S — CID 69238269

IUPAC2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate
SMILESCC(C)COC(=O)N(c1ccccc1CN1C(=O)OC(C)(C)C1=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H21F3N2O7S/c1-11(2)10-29-16(26)23(31(27,28)18(19,20)21)13-8-6-5-7-12(13)9-22-14(24)17(3,4)30-15(22)25/h5-8,11H,9-10H2,1-4H3
InChIKeyFDVCIMAUUIEHMW-UHFFFAOYSA-N
MW466.43 g/mol
LogP3.39
Rot. Bonds6

About 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate

2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate (PubChem CID 69238269) has the molecular formula C18H21F3N2O7S and a molecular weight of 466.43 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate
PubChem CID69238269
Molecular FormulaC18H21F3N2O7S
Molecular Weight466.43 g/mol
Exact Mass466.10
IUPAC Name2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate
SMILESCC(C)COC(=O)N(c1ccccc1CN1C(=O)OC(C)(C)C1=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H21F3N2O7S/c1-11(2)10-29-16(26)23(31(27,28)18(19,20)21)13-8-6-5-7-12(13)9-22-14(24)17(3,4)30-15(22)25/h5-8,11H,9-10H2,1-4H3
InChIKeyFDVCIMAUUIEHMW-UHFFFAOYSA-N
XLogP3.39
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
The IUPAC name of 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate (CID 69238269) is 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate is CC(C)COC(=O)N(c1ccccc1CN1C(=O)OC(C)(C)C1=O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
The InChIKey is FDVCIMAUUIEHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O7S/c1-11(2)10-29-16(26)23(31(27,28)18(19,20)21)13-8-6-5-7-12(13)9-22-14(24)17(3,4)30-15(22)25/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate has a molecular weight of 466.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate is sourced from PubChem (CID 69238269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).