3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C11H19F3N2O2 — CID 172907243

IUPAC3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCCCNC(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H19F3N2O2/c1-5-6-15-8(17)7(10(2,3)4)16-9(18)11(12,13)14/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyVSGWHXFTINZGMF-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.61
Rot. Bonds4

About 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 172907243) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID172907243
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCCCNC(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H19F3N2O2/c1-5-6-15-8(17)7(10(2,3)4)16-9(18)11(12,13)14/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyVSGWHXFTINZGMF-UHFFFAOYSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 172907243) is 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CCCNC(=O)C(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is VSGWHXFTINZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-5-6-15-8(17)7(10(2,3)4)16-9(18)11(12,13)14/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 268.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 172907243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).