5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione

C36H62N2O3 — CID 21416278

IUPAC5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCCC1(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)NC1=O
InChIInChI=1S/C36H62N2O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36(32(40)37-33(41)38-36)25-23-28-26-29(34(2,3)4)31(39)30(27-28)35(5,6)7/h26-27,39H,8-25H2,1-7H3,(H2,37,38,40,41)
InChIKeyQXRBEUNAQLDIDN-UHFFFAOYSA-N
MW570.90 g/mol
LogP9.76
Rot. Bonds19

About 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione

5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione (PubChem CID 21416278) has the molecular formula C36H62N2O3 and a molecular weight of 570.90 g/mol. Its IUPAC name is 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione
PubChem CID21416278
Molecular FormulaC36H62N2O3
Molecular Weight570.90 g/mol
Exact Mass570.48
IUPAC Name5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCCC1(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)NC1=O
InChIInChI=1S/C36H62N2O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36(32(40)37-33(41)38-36)25-23-28-26-29(34(2,3)4)31(39)30(27-28)35(5,6)7/h26-27,39H,8-25H2,1-7H3,(H2,37,38,40,41)
InChIKeyQXRBEUNAQLDIDN-UHFFFAOYSA-N
XLogP9.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.90
LogP ≤ 59.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione with MolForge

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Related Compounds

4-butyl-2,6-ditert-butylphenol
CID 158079570
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl octadecanoate
CID 19613985
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;octadecanoic acid;bis(propan-2-ol);titanium
CID 59746986
4-butyl-2,6-ditert-butylphenol;2-tert-butyl-4-dodecylphenol
CID 22360099
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);heptanethioic S-acid
CID 173394057
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;octyl formate
CID 174916179
methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
2,6-ditert-butyl-4-(3-butylheptyl)phenol;2,6-ditert-butyl-4-[8-(3,5-ditert-butyl-4-hydroxyphenyl)octyl]phenol
CID 160518697
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
2,6-ditert-butyl-4-(3-octoxybut-3-enyl)phenol
CID 58783098
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione (CID 21416278) is 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione is CCCCCCCCCCCCCCCCCC1(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)NC1=O.
What is the InChIKey of 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione?
The InChIKey is QXRBEUNAQLDIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36(32(40)37-33(41)38-36)25-23-28-26-29(34(2,3)4)31(39)30(27-28)35(5,6)7/h26-27,39H,8-25H2,1-7H3,(H2,37,38,40,41).
What are the key properties of 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione?
5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione has a molecular weight of 570.90 g/mol, XLogP of 9.76, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione is sourced from PubChem (CID 21416278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).