N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide

C26H26F26N4O4 — CID 11136790

IUPACN-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide
SMILESO=C(CCN1CCN(CCC(=O)N(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1)N(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H26F26N4O4/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)3-7-55(59)13(57)1-5-53-9-11-54(12-10-53)6-2-14(58)56(60)8-4-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h59-60H,1-12H2
InChIKeyHOJPDWOQDYTGRI-UHFFFAOYSA-N
MW952.47 g/mol
LogP8.08
Rot. Bonds20

About N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide

N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide (PubChem CID 11136790) has the molecular formula C26H26F26N4O4 and a molecular weight of 952.47 g/mol. Its IUPAC name is N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide
PubChem CID11136790
Molecular FormulaC26H26F26N4O4
Molecular Weight952.47 g/mol
Exact Mass952.15
IUPAC NameN-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide
SMILESO=C(CCN1CCN(CCC(=O)N(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1)N(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H26F26N4O4/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)3-7-55(59)13(57)1-5-53-9-11-54(12-10-53)6-2-14(58)56(60)8-4-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h59-60H,1-12H2
InChIKeyHOJPDWOQDYTGRI-UHFFFAOYSA-N
XLogP8.08
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.47
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide?
The IUPAC name of N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide (CID 11136790) is N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide.
What is the SMILES notation for N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide?
The canonical SMILES for N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide is O=C(CCN1CCN(CCC(=O)N(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1)N(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide?
The InChIKey is HOJPDWOQDYTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F26N4O4/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)3-7-55(59)13(57)1-5-53-9-11-54(12-10-53)6-2-14(58)56(60)8-4-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h59-60H,1-12H2.
What are the key properties of N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide?
N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide has a molecular weight of 952.47 g/mol, XLogP of 8.08, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[3-[hydroxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-3-oxopropyl]piperazin-1-yl]-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanamide is sourced from PubChem (CID 11136790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).