N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide

C26H37N3O4 — CID 57069575

IUPACN-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)N(O)c1ccc(NNC(C)=O)cc1
InChIInChI=1S/C26H37N3O4/c1-9-22(24(31)29(32)20-13-11-19(12-14-20)28-27-17(2)30)33-23-15-10-18(25(3,4)5)16-21(23)26(6,7)8/h10-16,22,28,32H,9H2,1-8H3,(H,27,30)
InChIKeyMXMDKSIUIFEBDA-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.32
Rot. Bonds7

About N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide

N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide (PubChem CID 57069575) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide.

Molecular Properties

Compound NameN-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide
PubChem CID57069575
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC NameN-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)N(O)c1ccc(NNC(C)=O)cc1
InChIInChI=1S/C26H37N3O4/c1-9-22(24(31)29(32)20-13-11-19(12-14-20)28-27-17(2)30)33-23-15-10-18(25(3,4)5)16-21(23)26(6,7)8/h10-16,22,28,32H,9H2,1-8H3,(H,27,30)
InChIKeyMXMDKSIUIFEBDA-UHFFFAOYSA-N
XLogP5.32
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide?
The IUPAC name of N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide (CID 57069575) is N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide.
What is the SMILES notation for N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide?
The canonical SMILES for N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide is CCC(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)N(O)c1ccc(NNC(C)=O)cc1.
What is the InChIKey of N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide?
The InChIKey is MXMDKSIUIFEBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-9-22(24(31)29(32)20-13-11-19(12-14-20)28-27-17(2)30)33-23-15-10-18(25(3,4)5)16-21(23)26(6,7)8/h10-16,22,28,32H,9H2,1-8H3,(H,27,30).
What are the key properties of N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide?
N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide has a molecular weight of 455.60 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetylhydrazinyl)phenyl]-2-(2,4-ditert-butylphenoxy)-N-hydroxybutanamide is sourced from PubChem (CID 57069575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).