tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate

C19H26F4N2O3 — CID 155699132

IUPACtert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1(c2ccc(F)c(OC(F)(F)F)c2)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26F4N2O3/c1-16(2,3)28-15(26)25-17(4,5)11-24-18(8-9-18)12-6-7-13(20)14(10-12)27-19(21,22)23/h6-7,10,24H,8-9,11H2,1-5H3,(H,25,26)
InChIKeyFSVXERNJWJKOCR-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.61
Rot. Bonds6

About tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate (PubChem CID 155699132) has the molecular formula C19H26F4N2O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate
PubChem CID155699132
Molecular FormulaC19H26F4N2O3
Molecular Weight406.42 g/mol
Exact Mass406.19
IUPAC Nametert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1(c2ccc(F)c(OC(F)(F)F)c2)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26F4N2O3/c1-16(2,3)28-15(26)25-17(4,5)11-24-18(8-9-18)12-6-7-13(20)14(10-12)27-19(21,22)23/h6-7,10,24H,8-9,11H2,1-5H3,(H,25,26)
InChIKeyFSVXERNJWJKOCR-UHFFFAOYSA-N
XLogP4.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate with MolForge

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Related Compounds

methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate
CID 155699156
methyl N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 155699160
Tert-butyl 3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methylamino]azetidine-1-carboxylate
CID 134787507
[3-(trifluoromethyl)phenyl] N-[(E)-1-phenylhept-2-enyl]carbamate
CID 5771794
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate
CID 16740562
3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide
CID 75379636
Tert-butyl 4-[[(2-fluoro-5-methoxyphenyl)methylamino]methyl]piperidine-1-carboxylate
CID 172433671
tert-butyl N-[2-[(2-fluoro-5-methoxyphenyl)methylamino]ethyl]carbamate
CID 172437217
[2-Amino-2-[3-(trifluoromethoxy)phenyl]ethyl]-tert-butylcarbamic acid
CID 129068698
N-[2-(cyclohexen-1-yl)-1-(3-methoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 49859475
Methyl (R)-(1-(4-fluoro-3-(trifluoromethoxy)phenyl)cyclopropyl)(pyrrolidin-2-ylmethyl)carbamate
CID 155699155
Methyl (azetidin-2-ylmethyl)(1-(4-fluoro-3-(trifluoromethoxy)phenyl)cyclopropyl)carbamate
CID 155699184

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate (CID 155699132) is tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate is CC(C)(CNC1(c2ccc(F)c(OC(F)(F)F)c2)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is FSVXERNJWJKOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F4N2O3/c1-16(2,3)28-15(26)25-17(4,5)11-24-18(8-9-18)12-6-7-13(20)14(10-12)27-19(21,22)23/h6-7,10,24H,8-9,11H2,1-5H3,(H,25,26).
What are the key properties of tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 406.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 155699132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).