N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide

C10H19F3N2O2 — CID 63901683

IUPACN-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(2)15-9(17)4-5-14-6-8(16)10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyQPOKGNSFFFUIRI-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.80
Rot. Bonds7

About N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide

N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide (PubChem CID 63901683) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide
PubChem CID63901683
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-7(2)15-9(17)4-5-14-6-8(16)10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyQPOKGNSFFFUIRI-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide (CID 63901683) is N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide is CCC(C)NC(=O)CCNCC(O)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide?
The InChIKey is QPOKGNSFFFUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-7(2)15-9(17)4-5-14-6-8(16)10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide?
N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide has a molecular weight of 256.27 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 63901683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).