2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide

C14H23F6N3O3 — CID 10524722

IUPAC2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
SMILESCC(O)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H23F6N3O3/c1-10(24)9-23(8-4-6-22-12(26)14(18,19)20)7-3-2-5-21-11(25)13(15,16)17/h10,24H,2-9H2,1H3,(H,21,25)(H,22,26)
InChIKeyIQKNEIHDCBAUBU-UHFFFAOYSA-N
MW395.34 g/mol
LogP1.20
Rot. Bonds11

About 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide

2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide (PubChem CID 10524722) has the molecular formula C14H23F6N3O3 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
PubChem CID10524722
Molecular FormulaC14H23F6N3O3
Molecular Weight395.34 g/mol
Exact Mass395.16
IUPAC Name2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
SMILESCC(O)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H23F6N3O3/c1-10(24)9-23(8-4-6-22-12(26)14(18,19)20)7-3-2-5-21-11(25)13(15,16)17/h10,24H,2-9H2,1H3,(H,21,25)(H,22,26)
InChIKeyIQKNEIHDCBAUBU-UHFFFAOYSA-N
XLogP1.20
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide (CID 10524722) is 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide is CC(O)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide?
The InChIKey is IQKNEIHDCBAUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F6N3O3/c1-10(24)9-23(8-4-6-22-12(26)14(18,19)20)7-3-2-5-21-11(25)13(15,16)17/h10,24H,2-9H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide?
2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide has a molecular weight of 395.34 g/mol, XLogP of 1.20, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide is sourced from PubChem (CID 10524722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).