tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate

C19H29FN2O3 — CID 113242207

IUPACtert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
SMILESCOc1cc(F)ccc1NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H29FN2O3/c1-19(2,3)25-18(23)21-12-13-7-5-6-8-15(13)22-16-10-9-14(20)11-17(16)24-4/h9-11,13,15,22H,5-8,12H2,1-4H3,(H,21,23)
InChIKeyDRUCXJSZYBWRBH-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.33
Rot. Bonds5

About tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate (PubChem CID 113242207) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
PubChem CID113242207
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Nametert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
SMILESCOc1cc(F)ccc1NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H29FN2O3/c1-19(2,3)25-18(23)21-12-13-7-5-6-8-15(13)22-16-10-9-14(20)11-17(16)24-4/h9-11,13,15,22H,5-8,12H2,1-4H3,(H,21,23)
InChIKeyDRUCXJSZYBWRBH-UHFFFAOYSA-N
XLogP4.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(2,5-difluoroanilino)cyclopentyl]methyl]carbamate
CID 103695556
tert-butyl N-[[2-(2-bromo-4-fluoroanilino)cyclopentyl]methyl]carbamate
CID 103695639
tert-butyl N-[[2-(4-fluoro-2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103731044
tert-butyl N-[[2-(4-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695365
tert-butyl N-[[2-(2-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695367
tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
CID 103695578
tert-butyl N-[[2-(2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695647
tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate
CID 103695824
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
tert-butyl N-[[2-(4-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695645
tert-butyl N-[[2-[(4-chloro-3-pyridinyl)amino]cyclopentyl]methyl]carbamate
CID 103910163
tert-butyl N-[[2-(2,6-dibromoanilino)cyclopentyl]methyl]carbamate
CID 107597176

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate (CID 113242207) is tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate is COc1cc(F)ccc1NC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate?
The InChIKey is DRUCXJSZYBWRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-19(2,3)25-18(23)21-12-13-7-5-6-8-15(13)22-16-10-9-14(20)11-17(16)24-4/h9-11,13,15,22H,5-8,12H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate has a molecular weight of 352.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 113242207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).