tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate

C16H25FN2O5 — CID 143863317

IUPACtert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate
SMILESC/C(=C/N(C)C1CCC(CF)O1)C(=O)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O5/c1-11(9-18(5)13-7-6-12(8-17)23-13)14(21)19(10-20)15(22)24-16(2,3)4/h9-10,12-13H,6-8H2,1-5H3/b11-9-
InChIKeyGCVBROXIRBWYEF-LUAWRHEFSA-N
MW344.38 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate

tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate (PubChem CID 143863317) has the molecular formula C16H25FN2O5 and a molecular weight of 344.38 g/mol. Its IUPAC name is tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate
PubChem CID143863317
Molecular FormulaC16H25FN2O5
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Nametert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate
SMILESC/C(=C/N(C)C1CCC(CF)O1)C(=O)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O5/c1-11(9-18(5)13-7-6-12(8-17)23-13)14(21)19(10-20)15(22)24-16(2,3)4/h9-10,12-13H,6-8H2,1-5H3/b11-9-
InChIKeyGCVBROXIRBWYEF-LUAWRHEFSA-N
XLogP2.22
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-cyclobutyl-2-oxopropyl)-N-methylcarbamate
CID 165466706
[(2R)-1-cyclopropyl-2-methyl-3-oxopropan-2-yl] N,N-dimethylcarbamate
CID 134570756
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
tert-butyl 2-(3-formyloxycyclobutyl)acetate
CID 174976723
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
tert-butyl N-[(2R)-1-amino-3-cyclopropylpropan-2-yl]-N-methylcarbamate
CID 169096210
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
tert-butyl N-[(Z)-3-fluoro-4-oxobut-2-enyl]-N-methylcarbamate
CID 146439863
tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
CID 105473883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate?
The IUPAC name of tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate (CID 143863317) is tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate.
What is the SMILES notation for tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate?
The canonical SMILES for tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate is C/C(=C/N(C)C1CCC(CF)O1)C(=O)N(C=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate?
The InChIKey is GCVBROXIRBWYEF-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H25FN2O5/c1-11(9-18(5)13-7-6-12(8-17)23-13)14(21)19(10-20)15(22)24-16(2,3)4/h9-10,12-13H,6-8H2,1-5H3/b11-9-.
What are the key properties of tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate?
tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate has a molecular weight of 344.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-3-[[5-(fluoromethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enoyl]-N-formylcarbamate is sourced from PubChem (CID 143863317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).