N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide

C11H16F3N3O — CID 55011427

IUPACN-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3N3O/c1-16(6-2-5-15)10(18)7-17(9-3-4-9)8-11(12,13)14/h9H,2-4,6-8H2,1H3
InChIKeyIJKMQYRAGCCCNI-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.39
Rot. Bonds6

About N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide

N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide (PubChem CID 55011427) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
PubChem CID55011427
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
SMILESCN(CCC#N)C(=O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3N3O/c1-16(6-2-5-15)10(18)7-17(9-3-4-9)8-11(12,13)14/h9H,2-4,6-8H2,1H3
InChIKeyIJKMQYRAGCCCNI-UHFFFAOYSA-N
XLogP1.39
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113223487
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N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
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N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
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CID 102848562
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 79661823
N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717113
N-(2-cyanoethyl)-N-methyl-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788775
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CID 55219777

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide (CID 55011427) is N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide is CN(CCC#N)C(=O)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
The InChIKey is IJKMQYRAGCCCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-16(6-2-5-15)10(18)7-17(9-3-4-9)8-11(12,13)14/h9H,2-4,6-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide has a molecular weight of 263.26 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide is sourced from PubChem (CID 55011427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).