3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide

C20H33NO2 — CID 3804136

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H33NO2/c1-8-11-21-17(22)10-9-14-12-15(19(2,3)4)18(23)16(13-14)20(5,6)7/h12-13,23H,8-11H2,1-7H3,(H,21,22)
InChIKeyOIKLSPRMYLRBPV-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.45
Rot. Bonds5

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide (PubChem CID 3804136) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide
PubChem CID3804136
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H33NO2/c1-8-11-21-17(22)10-9-14-12-15(19(2,3)4)18(23)16(13-14)20(5,6)7/h12-13,23H,8-11H2,1-7H3,(H,21,22)
InChIKeyOIKLSPRMYLRBPV-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide (CID 3804136) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide is CCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide?
The InChIKey is OIKLSPRMYLRBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-8-11-21-17(22)10-9-14-12-15(19(2,3)4)18(23)16(13-14)20(5,6)7/h12-13,23H,8-11H2,1-7H3,(H,21,22).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide has a molecular weight of 319.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-propylpropanamide is sourced from PubChem (CID 3804136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).