2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)

C28H34F6N4O8 — CID 23001681

IUPAC2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(COc2ccc(C3(N)CCN(C(C(=O)NO)C(C)(C)C)C3=O)cc2)cc(C)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H32N4O4.2C2HF3O2/c1-15-12-17(13-16(2)26-15)14-32-19-8-6-18(7-9-19)24(25)10-11-28(22(24)30)20(21(29)27-31)23(3,4)5;2*3-2(4,5)1(6)7/h6-9,12-13,20,31H,10-11,14,25H2,1-5H3,(H,27,29);2*(H,6,7)
InChIKeyDYSMDNRGRNYSAB-UHFFFAOYSA-N
MW668.59 g/mol
LogP3.85
Rot. Bonds6

About 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)

2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 23001681) has the molecular formula C28H34F6N4O8 and a molecular weight of 668.59 g/mol. Its IUPAC name is 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID23001681
Molecular FormulaC28H34F6N4O8
Molecular Weight668.59 g/mol
Exact Mass668.23
IUPAC Name2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(COc2ccc(C3(N)CCN(C(C(=O)NO)C(C)(C)C)C3=O)cc2)cc(C)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H32N4O4.2C2HF3O2/c1-15-12-17(13-16(2)26-15)14-32-19-8-6-18(7-9-19)24(25)10-11-28(22(24)30)20(21(29)27-31)23(3,4)5;2*3-2(4,5)1(6)7/h6-9,12-13,20,31H,10-11,14,25H2,1-5H3,(H,27,29);2*(H,6,7)
InChIKeyDYSMDNRGRNYSAB-UHFFFAOYSA-N
XLogP3.85
TPSA192.38 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.59
LogP ≤ 53.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid) (CID 23001681) is 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid) is Cc1cc(COc2ccc(C3(N)CCN(C(C(=O)NO)C(C)(C)C)C3=O)cc2)cc(C)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DYSMDNRGRNYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4.2C2HF3O2/c1-15-12-17(13-16(2)26-15)14-32-19-8-6-18(7-9-19)24(25)10-11-28(22(24)30)20(21(29)27-31)23(3,4)5;2*3-2(4,5)1(6)7/h6-9,12-13,20,31H,10-11,14,25H2,1-5H3,(H,27,29);2*(H,6,7).
What are the key properties of 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)?
2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 668.59 g/mol, XLogP of 3.85, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 23001681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).