tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate

C16H23FN2O3 — CID 103759599

IUPACtert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1cc(F)ccc1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-12-8-11(9-12)18-13-6-5-10(17)7-14(13)21-4/h5-7,11-12,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyUNQPOYWMCLEPEE-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.30
Rot. Bonds4

About tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate

tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate (PubChem CID 103759599) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
PubChem CID103759599
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nametert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1cc(F)ccc1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-12-8-11(9-12)18-13-6-5-10(17)7-14(13)21-4/h5-7,11-12,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyUNQPOYWMCLEPEE-UHFFFAOYSA-N
XLogP3.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
tert-butyl 3-(4-fluoro-2-methoxyanilino)azetidine-1-carboxylate
CID 63303231
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
CID 107527251
tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
CID 178183775
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
CID 146142219
tert-butyl N-[3-(4-chloro-2,5-dimethoxyanilino)cyclopentyl]carbamate
CID 113247793
methyl 4-methyl-3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]benzoate
CID 113256316
tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate
CID 103759400
tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
CID 113242207
tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
CID 153356613

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate (CID 103759599) is tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate is COc1cc(F)ccc1NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate?
The InChIKey is UNQPOYWMCLEPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-12-8-11(9-12)18-13-6-5-10(17)7-14(13)21-4/h5-7,11-12,18H,8-9H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate?
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate has a molecular weight of 310.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103759599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).