2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide

C15H21F9N4O3 — CID 146412399

IUPAC2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide
SMILESO=C(NCCCNCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H21F9N4O3/c16-13(17,18)10(29)26-6-1-4-25-5-2-8-28(12(31)15(22,23)24)9-3-7-27-11(30)14(19,20)21/h25H,1-9H2,(H,26,29)(H,27,30)
InChIKeyRCBMYCOSXSNBDM-UHFFFAOYSA-N
MW476.34 g/mol
LogP1.49
Rot. Bonds12

About 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide

2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide (PubChem CID 146412399) has the molecular formula C15H21F9N4O3 and a molecular weight of 476.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide
PubChem CID146412399
Molecular FormulaC15H21F9N4O3
Molecular Weight476.34 g/mol
Exact Mass476.15
IUPAC Name2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide
SMILESO=C(NCCCNCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H21F9N4O3/c16-13(17,18)10(29)26-6-1-4-25-5-2-8-28(12(31)15(22,23)24)9-3-7-27-11(30)14(19,20)21/h25H,1-9H2,(H,26,29)(H,27,30)
InChIKeyRCBMYCOSXSNBDM-UHFFFAOYSA-N
XLogP1.49
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
CID 58152578
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
CID 123568887
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 157072030
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 18970234
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199
2,2,2-trifluoro-N-[9-[7-(octylamino)heptyl]-16-[(2,2,2-trifluoroacetyl)amino]hexadecyl]acetamide
CID 139942216
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide (CID 146412399) is 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide is O=C(NCCCNCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide?
The InChIKey is RCBMYCOSXSNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F9N4O3/c16-13(17,18)10(29)26-6-1-4-25-5-2-8-28(12(31)15(22,23)24)9-3-7-27-11(30)14(19,20)21/h25H,1-9H2,(H,26,29)(H,27,30).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide has a molecular weight of 476.34 g/mol, XLogP of 1.49, 12 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-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]propylamino]propyl]acetamide is sourced from PubChem (CID 146412399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).