3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide

C20H33NO3 — CID 21199626

IUPAC3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCCO)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H33NO3/c1-19(2,3)15-12-14(8-9-17(23)21-10-7-11-22)18(24)16(13-15)20(4,5)6/h12-13,22,24H,7-11H2,1-6H3,(H,21,23)
InChIKeyXJGHUXGLOZHYNQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.42
Rot. Bonds6

About 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide

3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide (PubChem CID 21199626) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide
PubChem CID21199626
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCCO)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H33NO3/c1-19(2,3)15-12-14(8-9-17(23)21-10-7-11-22)18(24)16(13-15)20(4,5)6/h12-13,22,24H,7-11H2,1-6H3,(H,21,23)
InChIKeyXJGHUXGLOZHYNQ-UHFFFAOYSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.42
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-2-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199515
3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
CID 21199692
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199521
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
calcium;3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoic acid;carbonate
CID 174722916
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-N-(3-hydroxypropyl)propanamide
CID 19871392
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78821540
N-(3-hydroxypropyl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(3-hydroxypropylamino)-2-oxoethoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetamide
CID 101394740
N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 172793531
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
CID 87776014
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide (CID 21199626) is 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCCCO)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide?
The InChIKey is XJGHUXGLOZHYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-19(2,3)15-12-14(8-9-17(23)21-10-7-11-22)18(24)16(13-15)20(4,5)6/h12-13,22,24H,7-11H2,1-6H3,(H,21,23).
What are the key properties of 3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide?
3-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide has a molecular weight of 335.49 g/mol, XLogP of 3.42, 6 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-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 21199626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).