3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C9H17F3N2O2 — CID 103795775

IUPAC3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)NCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(2)13-4-3-8(16)14-5-7(15)9(10,11)12/h6-7,13,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyWETHQRIQKDZFER-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.41
Rot. Bonds6

About 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103795775) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103795775
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)NCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(2)13-4-3-8(16)14-5-7(15)9(10,11)12/h6-7,13,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyWETHQRIQKDZFER-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103795775) is 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(C)NCCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is WETHQRIQKDZFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(2)13-4-3-8(16)14-5-7(15)9(10,11)12/h6-7,13,15H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 242.24 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103795775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).