N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide

C19H30N2O3 — CID 741717

IUPACN'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCC(=O)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-12(22)20-21-16(23)9-8-13-10-14(18(2,3)4)17(24)15(11-13)19(5,6)7/h10-11,24H,8-9H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyYNPFIPPTVWPBNO-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.09
Rot. Bonds3

About N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide

N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide (PubChem CID 741717) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
PubChem CID741717
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
SMILESCC(=O)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-12(22)20-21-16(23)9-8-13-10-14(18(2,3)4)17(24)15(11-13)19(5,6)7/h10-11,24H,8-9H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyYNPFIPPTVWPBNO-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.09
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

3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 20728649
2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide
CID 145389700
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175098384
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuterio-6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide
CID 169433654
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazonate
CID 102150399
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The IUPAC name of N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide (CID 741717) is N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide.
What is the SMILES notation for N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The canonical SMILES for N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide is CC(=O)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
The InChIKey is YNPFIPPTVWPBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-12(22)20-21-16(23)9-8-13-10-14(18(2,3)4)17(24)15(11-13)19(5,6)7/h10-11,24H,8-9H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide?
N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide has a molecular weight of 334.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide is sourced from PubChem (CID 741717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).