2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide

C11H18F3N3O — CID 103367802

IUPAC2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(C#N)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-4-17(7-10(18)16-8(2)3)6-9(5-15)11(12,13)14/h8-9H,4,6-7H2,1-3H3,(H,16,18)
InChIKeyRJYAIMCCWSXDEW-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.53
Rot. Bonds6

About 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide

2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 103367802) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID103367802
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(C#N)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-4-17(7-10(18)16-8(2)3)6-9(5-15)11(12,13)14/h8-9H,4,6-7H2,1-3H3,(H,16,18)
InChIKeyRJYAIMCCWSXDEW-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
CID 103367792
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
CID 103371514
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78787831
2-[(2-cyano-3,3,3-trifluoropropyl)-propylamino]acetic acid
CID 103371515
2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
CID 54979648
2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
CID 103367872
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
methyl 2-bromo-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 81100726
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367206
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 110880161
2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47069094

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide (CID 103367802) is 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is RJYAIMCCWSXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-4-17(7-10(18)16-8(2)3)6-9(5-15)11(12,13)14/h8-9H,4,6-7H2,1-3H3,(H,16,18).
What are the key properties of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide?
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 265.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103367802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).