3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide

C17H27NO3 — CID 21199692

IUPAC3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
SMILESCC(C)(C)c1cccc(CCC(=O)NCCCCO)c1O
InChIInChI=1S/C17H27NO3/c1-17(2,3)14-8-6-7-13(16(14)21)9-10-15(20)18-11-4-5-12-19/h6-8,19,21H,4-5,9-12H2,1-3H3,(H,18,20)
InChIKeyQEPWOAFUKWQZDJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.51
Rot. Bonds7

About 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide

3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide (PubChem CID 21199692) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
PubChem CID21199692
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
SMILESCC(C)(C)c1cccc(CCC(=O)NCCCCO)c1O
InChIInChI=1S/C17H27NO3/c1-17(2,3)14-8-6-7-13(16(14)21)9-10-15(20)18-11-4-5-12-19/h6-8,19,21H,4-5,9-12H2,1-3H3,(H,18,20)
InChIKeyQEPWOAFUKWQZDJ-UHFFFAOYSA-N
XLogP2.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.51
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-(3,5-ditert-butyl-2-hydroxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 21199626
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199521
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 21199638
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
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
3-[2-(4-chlorophenyl)sulfanylphenyl]-N-(4-hydroxybutyl)propanamide
CID 11726259
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide (CID 21199692) is 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide is CC(C)(C)c1cccc(CCC(=O)NCCCCO)c1O.
What is the InChIKey of 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide?
The InChIKey is QEPWOAFUKWQZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)14-8-6-7-13(16(14)21)9-10-15(20)18-11-4-5-12-19/h6-8,19,21H,4-5,9-12H2,1-3H3,(H,18,20).
What are the key properties of 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide?
3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide is sourced from PubChem (CID 21199692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).