N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide

C11H21F3N2O — CID 63227068

IUPACN-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-4-5-8(2)16-10(17)9(3)15-7-6-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyZXFPJHPWSJJJRS-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.22
Rot. Bonds7

About N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide

N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide (PubChem CID 63227068) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide
PubChem CID63227068
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-4-5-8(2)16-10(17)9(3)15-7-6-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyZXFPJHPWSJJJRS-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide?
The IUPAC name of N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide (CID 63227068) is N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide.
What is the SMILES notation for N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide?
The canonical SMILES for N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide is CCCC(C)NC(=O)C(C)NCCC(F)(F)F.
What is the InChIKey of N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide?
The InChIKey is ZXFPJHPWSJJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-4-5-8(2)16-10(17)9(3)15-7-6-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide?
N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide has a molecular weight of 254.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(3,3,3-trifluoropropylamino)propanamide is sourced from PubChem (CID 63227068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).