2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

C10H16F3N3O2 — CID 79797261

IUPAC2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(CC(=O)NC1CC1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-9(14,10(11,12)13)8(18)16(2)5-7(17)15-6-3-4-6/h6H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyMADQMQGTIFKPRG-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.00
Rot. Bonds4

About 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide

2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (PubChem CID 79797261) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
PubChem CID79797261
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
SMILESCN(CC(=O)NC1CC1)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-9(14,10(11,12)13)8(18)16(2)5-7(17)15-6-3-4-6/h6H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyMADQMQGTIFKPRG-UHFFFAOYSA-N
XLogP0.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide (CID 79797261) is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is CN(CC(=O)NC1CC1)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
The InChIKey is MADQMQGTIFKPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-9(14,10(11,12)13)8(18)16(2)5-7(17)15-6-3-4-6/h6H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide?
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide has a molecular weight of 267.25 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide is sourced from PubChem (CID 79797261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).