(3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate

C13H16F2N2O4 — CID 175287812

IUPAC(3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate
SMILESCC(C)(CCOC(=O)Nc1c(F)cccc1F)OC(N)=O
InChIInChI=1S/C13H16F2N2O4/c1-13(2,21-11(16)18)6-7-20-12(19)17-10-8(14)4-3-5-9(10)15/h3-5H,6-7H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyMSVYIQBWBSNJJZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.78
Rot. Bonds5

About (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate

(3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate (PubChem CID 175287812) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate
PubChem CID175287812
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name(3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate
SMILESCC(C)(CCOC(=O)Nc1c(F)cccc1F)OC(N)=O
InChIInChI=1S/C13H16F2N2O4/c1-13(2,21-11(16)18)6-7-20-12(19)17-10-8(14)4-3-5-9(10)15/h3-5H,6-7H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyMSVYIQBWBSNJJZ-UHFFFAOYSA-N
XLogP2.78
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
tert-butyl 4-(2,6-difluoroanilino)-4-oxobutanoate
CID 106707000
tert-butyl N-[2-[(2,6-difluorophenyl)carbamothioylamino]ethyl]carbamate
CID 84554082
2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
CID 82110411
4-(2,6-difluoroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43529777
(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
[5-[2-(aminomethyl)-3-fluoroanilino]-2,4,4-trimethylpentan-2-yl] carbamate
CID 174576403
methyl 3-[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]propanoate
CID 175150154
(3-methoxy-3-methylbutyl) N-[4-(aminomethyl)phenyl]carbamate
CID 106666335
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate?
The IUPAC name of (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate (CID 175287812) is (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate.
What is the SMILES notation for (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate?
The canonical SMILES for (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate is CC(C)(CCOC(=O)Nc1c(F)cccc1F)OC(N)=O.
What is the InChIKey of (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate?
The InChIKey is MSVYIQBWBSNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c1-13(2,21-11(16)18)6-7-20-12(19)17-10-8(14)4-3-5-9(10)15/h3-5H,6-7H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate?
(3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate has a molecular weight of 302.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-3-methylbutyl) N-(2,6-difluorophenyl)carbamate is sourced from PubChem (CID 175287812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).