2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate

C13H26F2N2O3 — CID 14720114

IUPAC2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate
SMILESCC(C)COC(=O)NCC(F)(F)C(O)C(N)CC(C)C
InChIInChI=1S/C13H26F2N2O3/c1-8(2)5-10(16)11(18)13(14,15)7-17-12(19)20-6-9(3)4/h8-11,18H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyYYCOSRWJFYWYMI-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.74
Rot. Bonds8

About 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate

2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate (PubChem CID 14720114) has the molecular formula C13H26F2N2O3 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate
PubChem CID14720114
Molecular FormulaC13H26F2N2O3
Molecular Weight296.36 g/mol
Exact Mass296.19
IUPAC Name2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate
SMILESCC(C)COC(=O)NCC(F)(F)C(O)C(N)CC(C)C
InChIInChI=1S/C13H26F2N2O3/c1-8(2)5-10(16)11(18)13(14,15)7-17-12(19)20-6-9(3)4/h8-11,18H,5-7,16H2,1-4H3,(H,17,19)
InChIKeyYYCOSRWJFYWYMI-UHFFFAOYSA-N
XLogP1.74
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate?
The IUPAC name of 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate (CID 14720114) is 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate is CC(C)COC(=O)NCC(F)(F)C(O)C(N)CC(C)C.
What is the InChIKey of 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate?
The InChIKey is YYCOSRWJFYWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O3/c1-8(2)5-10(16)11(18)13(14,15)7-17-12(19)20-6-9(3)4/h8-11,18H,5-7,16H2,1-4H3,(H,17,19).
What are the key properties of 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate?
2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate has a molecular weight of 296.36 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate is sourced from PubChem (CID 14720114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).