3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium

C25H35NO3Y-2 — CID 58729890

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium
SMILESCC(C)(C)c1cc(CCC(=O)Nc2c[c-]c(O)cc2)cc(C(C)(C)C)c1O.[CH2-]C.[Y]
InChIInChI=1S/C23H30NO3.C2H5.Y/c1-22(2,3)18-13-15(14-19(21(18)27)23(4,5)6)7-12-20(26)24-16-8-10-17(25)11-9-16;1-2;/h8-10,13-14,25,27H,7,12H2,1-6H3,(H,24,26);1H2,2H3;/q2*-1;
InChIKeySNSCQRDLDMEIIT-UHFFFAOYSA-N
MW486.47 g/mol
LogP5.90
Rot. Bonds4

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium (PubChem CID 58729890) has the molecular formula C25H35NO3Y-2 and a molecular weight of 486.47 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium
PubChem CID58729890
Molecular FormulaC25H35NO3Y-2
Molecular Weight486.47 g/mol
Exact Mass486.17
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium
SMILESCC(C)(C)c1cc(CCC(=O)Nc2c[c-]c(O)cc2)cc(C(C)(C)C)c1O.[CH2-]C.[Y]
InChIInChI=1S/C23H30NO3.C2H5.Y/c1-22(2,3)18-13-15(14-19(21(18)27)23(4,5)6)7-12-20(26)24-16-8-10-17(25)11-9-16;1-2;/h8-10,13-14,25,27H,7,12H2,1-6H3,(H,24,26);1H2,2H3;/q2*-1;
InChIKeySNSCQRDLDMEIIT-UHFFFAOYSA-N
XLogP5.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.47
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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-[4-(2-hydroxypropoxy)phenyl]propanamide
CID 143450502
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-methylpropanamide;propane
CID 142558013
N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 741717
ethane;phenyl 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenoxy]acetate
CID 91543623
N-[3-[[3-tert-butyl-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 89077882
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175098384
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
CID 58729892
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide
CID 59265267
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-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium (CID 58729890) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium is CC(C)(C)c1cc(CCC(=O)Nc2c[c-]c(O)cc2)cc(C(C)(C)C)c1O.[CH2-]C.[Y].
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium?
The InChIKey is SNSCQRDLDMEIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30NO3.C2H5.Y/c1-22(2,3)18-13-15(14-19(21(18)27)23(4,5)6)7-12-20(26)24-16-8-10-17(25)11-9-16;1-2;/h8-10,13-14,25,27H,7,12H2,1-6H3,(H,24,26);1H2,2H3;/q2*-1;.
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium has a molecular weight of 486.47 g/mol, XLogP of 5.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(4-hydroxybenzene-5-id-1-yl)propanamide;ethane;yttrium is sourced from PubChem (CID 58729890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).