[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate

C20H26F4N2O4 — CID 155146297

IUPAC[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
SMILESCC(C)(COC(=O)NC1(c2ccc(F)c(C(F)(F)F)c2)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H26F4N2O4/c1-17(2,3)30-16(28)25-18(4,5)11-29-15(27)26-19(8-9-19)12-6-7-14(21)13(10-12)20(22,23)24/h6-7,10H,8-9,11H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyBUBPGDIDGKLEHF-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.86
Rot. Bonds5

About [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate

[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate (PubChem CID 155146297) has the molecular formula C20H26F4N2O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate.

Molecular Properties

Compound Name[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
PubChem CID155146297
Molecular FormulaC20H26F4N2O4
Molecular Weight434.43 g/mol
Exact Mass434.18
IUPAC Name[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
SMILESCC(C)(COC(=O)NC1(c2ccc(F)c(C(F)(F)F)c2)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H26F4N2O4/c1-17(2,3)30-16(28)25-18(4,5)11-29-15(27)26-19(8-9-19)12-6-7-14(21)13(10-12)20(22,23)24/h6-7,10H,8-9,11H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyBUBPGDIDGKLEHF-UHFFFAOYSA-N
XLogP4.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-methylsulfonylamino]-2-methylpropan-2-yl]carbamate
CID 155699172
tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate
CID 155699132
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
tert-butyl (2S)-2-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]azetidine-1-carboxylate
CID 155699119
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
tert-butyl 3-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608452
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
tert-butyl N-[1-[(3,4-difluorobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668981
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059191
tert-butyl N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170490954
tert-butyl 3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-methoxycarbonylamino]azetidine-1-carboxylate
CID 155146435

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
The IUPAC name of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate (CID 155146297) is [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate.
What is the SMILES notation for [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
The canonical SMILES for [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate is CC(C)(COC(=O)NC1(c2ccc(F)c(C(F)(F)F)c2)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
The InChIKey is BUBPGDIDGKLEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F4N2O4/c1-17(2,3)30-16(28)25-18(4,5)11-29-15(27)26-19(8-9-19)12-6-7-14(21)13(10-12)20(22,23)24/h6-7,10H,8-9,11H2,1-5H3,(H,25,28)(H,26,27).
What are the key properties of [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate?
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate has a molecular weight of 434.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate is sourced from PubChem (CID 155146297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).