N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

C12H19F2N3O2 — CID 107485470

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESCC(C#N)(NC(=O)CN(CCO)CC(F)F)C1CC1
InChIInChI=1S/C12H19F2N3O2/c1-12(8-15,9-2-3-9)16-11(19)7-17(4-5-18)6-10(13)14/h9-10,18H,2-7H2,1H3,(H,16,19)
InChIKeyHTDZXKNVOURHNZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.35
Rot. Bonds8

About N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485470) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485470
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESCC(C#N)(NC(=O)CN(CCO)CC(F)F)C1CC1
InChIInChI=1S/C12H19F2N3O2/c1-12(8-15,9-2-3-9)16-11(19)7-17(4-5-18)6-10(13)14/h9-10,18H,2-7H2,1H3,(H,16,19)
InChIKeyHTDZXKNVOURHNZ-UHFFFAOYSA-N
XLogP0.35
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyano-1-cyclopropylethyl)-2-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60303276
N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103856838
N-(1-cyanocyclopentyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485095
N-(2-cyano-3-methylbutan-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485246
N-(1-cyano-1-cyclopropylethyl)-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
CID 109967591
N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 51254435
N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]acetamide
CID 53605754
N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060686
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]acetamide
CID 60272921
N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 60303357
N-(2-cyano-3-methylbutan-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 60303688
N-(1-cyano-1-cyclopropylethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 60318621

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485470) is N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is CC(C#N)(NC(=O)CN(CCO)CC(F)F)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is HTDZXKNVOURHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c1-12(8-15,9-2-3-9)16-11(19)7-17(4-5-18)6-10(13)14/h9-10,18H,2-7H2,1H3,(H,16,19).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 275.30 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107485470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).