2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide

C11H18F3N3O — CID 79804815

IUPAC2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(2)7-17(6-4-5-15)9(18)10(3,16)11(12,13)14/h8H,4,6-7,16H2,1-3H3
InChIKeySXMDDAWLSDTCET-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.66
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide

2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 79804815) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID79804815
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(2)7-17(6-4-5-15)9(18)10(3,16)11(12,13)14/h8H,4,6-7,16H2,1-3H3
InChIKeySXMDDAWLSDTCET-UHFFFAOYSA-N
XLogP1.66
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79805335
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 103929355
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62821344
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanopropyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79805675
2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-phenylpropanamide
CID 79797050
2-amino-3,3,3-trifluoro-2-methyl-N,N-dipropylpropanamide
CID 79791210
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide (CID 79804815) is 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CN(CCC#N)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is SXMDDAWLSDTCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8(2)7-17(6-4-5-15)9(18)10(3,16)11(12,13)14/h8H,4,6-7,16H2,1-3H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide?
2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 265.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 79804815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).