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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Related Compounds

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chlorophenyl)-N-hydroxybutanamide
CID 57239890
N-[4-[2-(2,4-ditert-butylphenoxy)butylamino]anilino]formamide
CID 70368257
2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
CID 101164913
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
CID 138660138
N-(3-amino-4-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-hydroxyhexanamide
CID 57203285
(2S)-N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 92846699
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]disulfanyl]phenyl]butanamide
CID 11828951
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2-fluorobutanoylamino)-3-hydroxyphenyl]butanamide
CID 101292228
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-hydroxy-4-(methanesulfonamido)phenyl]butanamide
CID 101307852
(2,4-ditert-butylphenyl) ethanesulfonate
CID 86639499

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).