N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide

C11H18F3N3O — CID 103367511

IUPACN-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide
SMILESCC(NCC(C#N)C(F)(F)F)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18F3N3O/c1-7(9(18)17-10(2,3)4)16-6-8(5-15)11(12,13)14/h7-8,16H,6H2,1-4H3,(H,17,18)
InChIKeyUVCQAYRXXHEPCT-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.58
Rot. Bonds4

About N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide

N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide (PubChem CID 103367511) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide
PubChem CID103367511
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide
SMILESCC(NCC(C#N)C(F)(F)F)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18F3N3O/c1-7(9(18)17-10(2,3)4)16-6-8(5-15)11(12,13)14/h7-8,16H,6H2,1-4H3,(H,17,18)
InChIKeyUVCQAYRXXHEPCT-UHFFFAOYSA-N
XLogP1.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile
CID 103367515
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
3,3,3-trifluoro-2-[(pent-1-yn-3-ylamino)methyl]propanenitrile
CID 106229423
methyl 2-[(2-cyano-3,3,3-trifluoropropyl)amino]acetate
CID 103366879
4-[1-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]benzonitrile
CID 103367077
methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
CID 103262789
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367206
N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
CID 103367047
2-(3-aminopropylamino)-N-tert-butylpropanamide
CID 62274878
N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide
CID 60676629
N-tert-butyl-2-[[2-(dimethylamino)-2-methylpropyl]amino]propanamide
CID 54940320
3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile
CID 103367449

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide (CID 103367511) is N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide is CC(NCC(C#N)C(F)(F)F)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide?
The InChIKey is UVCQAYRXXHEPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-7(9(18)17-10(2,3)4)16-6-8(5-15)11(12,13)14/h7-8,16H,6H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide?
N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide has a molecular weight of 265.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide is sourced from PubChem (CID 103367511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).