N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

C12H21F2N3O2 — CID 107485246

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H21F2N3O2/c1-9(2)12(3,8-15)16-11(19)7-17(4-5-18)6-10(13)14/h9-10,18H,4-7H2,1-3H3,(H,16,19)
InChIKeyXGZPNEFJSHFQRH-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.60
Rot. Bonds8

About N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485246) has the molecular formula C12H21F2N3O2 and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485246
Molecular FormulaC12H21F2N3O2
Molecular Weight277.31 g/mol
Exact Mass277.16
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H21F2N3O2/c1-9(2)12(3,8-15)16-11(19)7-17(4-5-18)6-10(13)14/h9-10,18H,4-7H2,1-3H3,(H,16,19)
InChIKeyXGZPNEFJSHFQRH-UHFFFAOYSA-N
XLogP0.60
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485246) is N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is CC(C)C(C)(C#N)NC(=O)CN(CCO)CC(F)F.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is XGZPNEFJSHFQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O2/c1-9(2)12(3,8-15)16-11(19)7-17(4-5-18)6-10(13)14/h9-10,18H,4-7H2,1-3H3,(H,16,19).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 277.31 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107485246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).