2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide

C20H32N4O4 — CID 145389700

IUPAC2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide
SMILESCNNC(=O)C(=O)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H32N4O4/c1-19(2,3)13-10-12(11-14(16(13)26)20(4,5)6)8-9-15(25)22-24-18(28)17(27)23-21-7/h10-11,21,26H,8-9H2,1-7H3,(H,22,25)(H,23,27)(H,24,28)
InChIKeyWEBMYEGFLLVKPE-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.32
Rot. Bonds4

About 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide

2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide (PubChem CID 145389700) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide.

Molecular Properties

Compound Name2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide
PubChem CID145389700
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide
SMILESCNNC(=O)C(=O)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H32N4O4/c1-19(2,3)13-10-12(11-14(16(13)26)20(4,5)6)8-9-15(25)22-24-18(28)17(27)23-21-7/h10-11,21,26H,8-9H2,1-7H3,(H,22,25)(H,23,27)(H,24,28)
InChIKeyWEBMYEGFLLVKPE-UHFFFAOYSA-N
XLogP1.32
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 741717
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 20728649
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
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
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911

Frequently Asked Questions

What is the IUPAC name of 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide?
The IUPAC name of 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide (CID 145389700) is 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide.
What is the SMILES notation for 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide?
The canonical SMILES for 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide is CNNC(=O)C(=O)NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide?
The InChIKey is WEBMYEGFLLVKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-19(2,3)13-10-12(11-14(16(13)26)20(4,5)6)8-9-15(25)22-24-18(28)17(27)23-21-7/h10-11,21,26H,8-9H2,1-7H3,(H,22,25)(H,23,27)(H,24,28).
What are the key properties of 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide?
2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide has a molecular weight of 392.50 g/mol, XLogP of 1.32, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-N'-methylethanedihydrazide is sourced from PubChem (CID 145389700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).