N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide

C15H22N2O3 — CID 57160319

IUPACN'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCC(=O)NNC(=O)C(C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-9(14(20)17-16-10(2)18)11-6-7-13(19)12(8-11)15(3,4)5/h6-9,19H,1-5H3,(H,16,18)(H,17,20)
InChIKeyYPNIDIXGKNHUHK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.96
Rot. Bonds2

About N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide

N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide (PubChem CID 57160319) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide
PubChem CID57160319
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCC(=O)NNC(=O)C(C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-9(14(20)17-16-10(2)18)11-6-7-13(19)12(8-11)15(3,4)5/h6-9,19H,1-5H3,(H,16,18)(H,17,20)
InChIKeyYPNIDIXGKNHUHK-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-propan-2-ylphenol
CID 24240
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
3,5-ditert-butyl-N'-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-4-hydroxybenzohydrazide
CID 57081345
3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide
CID 54517850
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 141353760
octadecyl 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 88541512
2-tert-butyl-4-(1-phenylethyl)phenol
CID 23036863
N-[(1S)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]acetamide
CID 2313610
methyl 4-(3-tert-butyl-4-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171896182
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 88820904
2-(3,4-dihydroxyphenyl)-N-phenylpropanamide
CID 19745950
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide?
The IUPAC name of N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide (CID 57160319) is N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide.
What is the SMILES notation for N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide?
The canonical SMILES for N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide is CC(=O)NNC(=O)C(C)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide?
The InChIKey is YPNIDIXGKNHUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(14(20)17-16-10(2)18)11-6-7-13(19)12(8-11)15(3,4)5/h6-9,19H,1-5H3,(H,16,18)(H,17,20).
What are the key properties of N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide?
N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide has a molecular weight of 278.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3-tert-butyl-4-hydroxyphenyl)propanehydrazide is sourced from PubChem (CID 57160319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).