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

C19H31NO3 — CID 548437

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO3/c1-18(2,3)14-11-13(7-8-16(22)20-9-10-21)12-15(17(14)23)19(4,5)6/h11-12,21,23H,7-10H2,1-6H3,(H,20,22)
InChIKeyGHAQLQRXNCECQB-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.03
Rot. Bonds5

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

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 548437) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide
PubChem CID548437
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)NCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO3/c1-18(2,3)14-11-13(7-8-16(22)20-9-10-21)12-15(17(14)23)19(4,5)6/h11-12,21,23H,7-10H2,1-6H3,(H,20,22)
InChIKeyGHAQLQRXNCECQB-UHFFFAOYSA-N
XLogP3.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)
CID 90004
(S)-N-oleoyltyrosinol
CID 10410511
Tazofelone
CID 68745
(Z)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide
CID 6604915
1-(Azetidin-1-yl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
CID 9207941
N,N'-1,3-Propanediylbis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)
CID 112321
(9Z)-N-[2-(4-Hydroxyphenyl)ethyl]-9-octadecenamide
CID 44441629
(R)-N-oleoyltyrosinol
CID 73755147
3-(4-Hydroxy-phenyl)-N-(4-phenyl-butyl)-propionamide
CID 10661731
N-(4-Hydroxyphenethyl)Tetracosanamide
CID 13888179
Benzenepropanamide, N-(2-aminoethyl)-3,5-bis(1,1-dimethylethyl)-4-hydroxy-
CID 3049241
N-[3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-propyl]-acrylamide
CID 1897779

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide (CID 548437) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide is CC(C)(C)c1cc(CCC(=O)NCCO)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is GHAQLQRXNCECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-18(2,3)14-11-13(7-8-16(22)20-9-10-21)12-15(17(14)23)19(4,5)6/h11-12,21,23H,7-10H2,1-6H3,(H,20,22).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 321.46 g/mol, XLogP of 3.03, 5 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-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 548437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).