N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide

C12H19F3N2O3 — CID 103726417

IUPACN-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)9(18)7-17-10(19)5-6-16-11(20)8-3-1-2-4-8/h8-9,18H,1-7H2,(H,16,20)(H,17,19)
InChIKeyLYMGYNLZBCRTDK-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.72
Rot. Bonds6

About N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide

N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide (PubChem CID 103726417) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide
PubChem CID103726417
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)9(18)7-17-10(19)5-6-16-11(20)8-3-1-2-4-8/h8-9,18H,1-7H2,(H,16,20)(H,17,19)
InChIKeyLYMGYNLZBCRTDK-UHFFFAOYSA-N
XLogP0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide (CID 103726417) is N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide is O=C(CCNC(=O)C1CCCC1)NCC(O)C(F)(F)F.
What is the InChIKey of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is LYMGYNLZBCRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)9(18)7-17-10(19)5-6-16-11(20)8-3-1-2-4-8/h8-9,18H,1-7H2,(H,16,20)(H,17,19).
What are the key properties of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide?
N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 103726417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).