methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate

C14H20FNO2 — CID 70937709

IUPACmethyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H20FNO2/c1-14(2,3)12(16(4)13(17)18-5)10-6-8-11(15)9-7-10/h6-9,12H,1-5H3
InChIKeyJDZDVIOWXHHNHR-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.61
Rot. Bonds2

About methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate

methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate (PubChem CID 70937709) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate
PubChem CID70937709
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Namemethyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H20FNO2/c1-14(2,3)12(16(4)13(17)18-5)10-6-8-11(15)9-7-10/h6-9,12H,1-5H3
InChIKeyJDZDVIOWXHHNHR-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide
CID 70799975
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
[1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid
CID 67325875
tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023502
3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 65269320
N-[bis(4-fluorophenyl)methyl]-N-methylacetamide
CID 22660932
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
CID 118365136
methyl (Z)-2-[(4-fluorophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 11232965
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 15056442
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate?
The IUPAC name of methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate (CID 70937709) is methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate is COC(=O)N(C)C(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate?
The InChIKey is JDZDVIOWXHHNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,3)12(16(4)13(17)18-5)10-6-8-11(15)9-7-10/h6-9,12H,1-5H3.
What are the key properties of methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate?
methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate has a molecular weight of 253.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate is sourced from PubChem (CID 70937709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).