2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide

C21H35NO3 — CID 15537311

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCN(CCO)C(=O)C(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H35NO3/c1-19(2,3)15-12-14(13-16(17(15)24)20(4,5)6)21(7,8)18(25)22(9)10-11-23/h12-13,23-24H,10-11H2,1-9H3
InChIKeyOMQTUBWMAXGZDP-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.72
Rot. Bonds4

About 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide

2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide (PubChem CID 15537311) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
PubChem CID15537311
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCN(CCO)C(=O)C(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H35NO3/c1-19(2,3)15-12-14(13-16(17(15)24)20(4,5)6)21(7,8)18(25)22(9)10-11-23/h12-13,23-24H,10-11H2,1-9H3
InChIKeyOMQTUBWMAXGZDP-UHFFFAOYSA-N
XLogP3.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide (CID 15537311) is 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide is CN(CCO)C(=O)C(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The InChIKey is OMQTUBWMAXGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3/c1-19(2,3)15-12-14(13-16(17(15)24)20(4,5)6)21(7,8)18(25)22(9)10-11-23/h12-13,23-24H,10-11H2,1-9H3.
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide has a molecular weight of 349.52 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 15537311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).