tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate

C23H29F2NO3 — CID 11188926

IUPACtert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate
SMILESCc1cccc(C)c1C(CNC(=O)OC(C)(C)C)COCc1c(F)cccc1F
InChIInChI=1S/C23H29F2NO3/c1-15-8-6-9-16(2)21(15)17(12-26-22(27)29-23(3,4)5)13-28-14-18-19(24)10-7-11-20(18)25/h6-11,17H,12-14H2,1-5H3,(H,26,27)
InChIKeySLXLJYMZXUFEBP-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.41
Rot. Bonds7

About tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate

tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate (PubChem CID 11188926) has the molecular formula C23H29F2NO3 and a molecular weight of 405.49 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate
PubChem CID11188926
Molecular FormulaC23H29F2NO3
Molecular Weight405.49 g/mol
Exact Mass405.21
IUPAC Nametert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate
SMILESCc1cccc(C)c1C(CNC(=O)OC(C)(C)C)COCc1c(F)cccc1F
InChIInChI=1S/C23H29F2NO3/c1-15-8-6-9-16(2)21(15)17(12-26-22(27)29-23(3,4)5)13-28-14-18-19(24)10-7-11-20(18)25/h6-11,17H,12-14H2,1-5H3,(H,26,27)
InChIKeySLXLJYMZXUFEBP-UHFFFAOYSA-N
XLogP5.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-trans-Methyl-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylcarbamate
CID 44415400
(+/-)-cis-Methyl-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylcarbamate
CID 44415412
(+/-)-trans-Benzyl-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylcarbamate
CID 44415424
(+/-)-cis-Benzyl-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylcarbamate
CID 44415437
Benzyl phenethylcarbamate
CID 4779135
Carbamic acid, N-(beta-methoxy-m-trifluoromethylphenethyl)-, ethyl ester
CID 43905
tert-butyl N-(1-phenylmethoxypentadecyl)carbamate
CID 44322467
(2-fluorophenyl)methyl N-(6-phenylhexyl)carbamate
CID 73351939
1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate
CID 70951814
tert-Butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-methylenetetrahydro-2H-pyran-3-yl)carbamate
CID 72193184
benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate
CID 15422014
benzyl N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 101836032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate (CID 11188926) is tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate is Cc1cccc(C)c1C(CNC(=O)OC(C)(C)C)COCc1c(F)cccc1F.
What is the InChIKey of tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate?
The InChIKey is SLXLJYMZXUFEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2NO3/c1-15-8-6-9-16(2)21(15)17(12-26-22(27)29-23(3,4)5)13-28-14-18-19(24)10-7-11-20(18)25/h6-11,17H,12-14H2,1-5H3,(H,26,27).
What are the key properties of tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate?
tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate has a molecular weight of 405.49 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]carbamate is sourced from PubChem (CID 11188926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).