3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide

C23H39NO3 — CID 21199521

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCCCCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H39NO3/c1-22(2,3)18-15-17(16-19(21(18)27)23(4,5)6)11-12-20(26)24-13-9-7-8-10-14-25/h15-16,25,27H,7-14H2,1-6H3,(H,24,26)
InChIKeyBXKYIYDJABWIQK-UHFFFAOYSA-N
MW377.57 g/mol
LogP4.59
Rot. Bonds9

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide (PubChem CID 21199521) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
PubChem CID21199521
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCCCCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H39NO3/c1-22(2,3)18-15-17(16-19(21(18)27)23(4,5)6)11-12-20(26)24-13-9-7-8-10-14-25/h15-16,25,27H,7-14H2,1-6H3,(H,24,26)
InChIKeyBXKYIYDJABWIQK-UHFFFAOYSA-N
XLogP4.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-hexylpropanamide
CID 19991674
3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199515
N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 172793531
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(3-trimethoxysilylpropyl)propanamide;methane;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 161068095
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-N-(3-hydroxypropyl)propanamide
CID 19871392
3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 21199626
3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
CID 21199692
N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 134444273
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-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide (CID 21199521) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCCCCCCO)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide?
The InChIKey is BXKYIYDJABWIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3/c1-22(2,3)18-15-17(16-19(21(18)27)23(4,5)6)11-12-20(26)24-13-9-7-8-10-14-25/h15-16,25,27H,7-14H2,1-6H3,(H,24,26).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide has a molecular weight of 377.57 g/mol, XLogP of 4.59, 9 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-(6-hydroxyhexyl)propanamide is sourced from PubChem (CID 21199521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).