tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C20H30FNO4 — CID 91096614

IUPACtert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCc1c(C)c(F)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C20H30FNO4/c1-10-14-12(2)15(21)11-16(13(14)3)22(17(23)25-19(4,5)6)18(24)26-20(7,8)9/h11H,10H2,1-9H3
InChIKeyRAODVFMZHGATMT-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.68
Rot. Bonds2

About tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 91096614) has the molecular formula C20H30FNO4 and a molecular weight of 367.46 g/mol. Its IUPAC name is tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID91096614
Molecular FormulaC20H30FNO4
Molecular Weight367.46 g/mol
Exact Mass367.22
IUPAC Nametert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCc1c(C)c(F)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C20H30FNO4/c1-10-14-12(2)15(21)11-16(13(14)3)22(17(23)25-19(4,5)6)18(24)26-20(7,8)9/h11H,10H2,1-9H3
InChIKeyRAODVFMZHGATMT-UHFFFAOYSA-N
XLogP5.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-amino-3,5-difluorophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 122618961
tert-butyl N-(2-bromo-4-fluoro-5-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 157041142
tert-butyl N-[(2-bromo-5-fluoro-4-methylphenyl)methyl]-N-propylcarbamate
CID 172913928
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
tert-butyl N-[3-[4-(chloromethyl)-3,5-difluorophenoxy]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 126673446
tert-butyl N-[2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]ethyl]-N-methylcarbamate
CID 164550044
tert-butyl N-(3-fluoro-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 137333153
(5-amino-2-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 154945172
ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitrobenzoate
CID 54307927
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-[4-(4-chlorobenzoyl)-2-methylphenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 23074941
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 91096614) is tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CCc1c(C)c(F)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is RAODVFMZHGATMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO4/c1-10-14-12(2)15(21)11-16(13(14)3)22(17(23)25-19(4,5)6)18(24)26-20(7,8)9/h11H,10H2,1-9H3.
What are the key properties of tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 367.46 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 91096614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).