N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride

C24H41ClN2O3 — CID 87689920

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride
SMILESCC(C)(C)c1cc(NC(=O)C2CC(C)(C)N(O)C(C)(C)C2)cc(C(C)(C)C)c1O.[Cl-].[H+]
InChIInChI=1S/C24H40N2O3.ClH/c1-21(2,3)17-11-16(12-18(19(17)27)22(4,5)6)25-20(28)15-13-23(7,8)26(29)24(9,10)14-15;/h11-12,15,27,29H,13-14H2,1-10H3,(H,25,28);1H
InChIKeyVOGZCHWDQDTDOJ-UHFFFAOYSA-N
MW441.06 g/mol
LogP2.70
Rot. Bonds2

About N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride

N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride (PubChem CID 87689920) has the molecular formula C24H41ClN2O3 and a molecular weight of 441.06 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride
PubChem CID87689920
Molecular FormulaC24H41ClN2O3
Molecular Weight441.06 g/mol
Exact Mass440.28
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride
SMILESCC(C)(C)c1cc(NC(=O)C2CC(C)(C)N(O)C(C)(C)C2)cc(C(C)(C)C)c1O.[Cl-].[H+]
InChIInChI=1S/C24H40N2O3.ClH/c1-21(2,3)17-11-16(12-18(19(17)27)22(4,5)6)25-20(28)15-13-23(7,8)26(29)24(9,10)14-15;/h11-12,15,27,29H,13-14H2,1-10H3,(H,25,28);1H
InChIKeyVOGZCHWDQDTDOJ-UHFFFAOYSA-N
XLogP2.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.06
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 171977413
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
CID 56689935
N,N,N',N'-tetrakis(3,5-ditert-butyl-4-hydroxyphenyl)oxamide
CID 71325318
[1-[2-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]-3,6-dimethylphenyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3,5-ditert-butyl-4-hydroxybenzoate
CID 23330840
3-(3,5-ditert-butyl-4-hydroxyphenyl)-3,3-bis[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]propanoic acid
CID 175008644
4-(3,5-ditert-butyl-4-hydroxyanilino)-2-methylidene-4-oxobutanoic acid
CID 21321063
N-(3,5-ditert-butyl-4-hydroxyphenyl)octanamide
CID 14988663
N-(3,5-ditert-butyl-4-hydroxyphenyl)-10-hydrazinyl-10-oxodecanamide
CID 19902400
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 3650832
(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2,3-trimethylbutanoate
CID 143162480
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-cyclopropyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
CID 91448406

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride (CID 87689920) is N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride is CC(C)(C)c1cc(NC(=O)C2CC(C)(C)N(O)C(C)(C)C2)cc(C(C)(C)C)c1O.[Cl-].[H+].
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride?
The InChIKey is VOGZCHWDQDTDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3.ClH/c1-21(2,3)17-11-16(12-18(19(17)27)22(4,5)6)25-20(28)15-13-23(7,8)26(29)24(9,10)14-15;/h11-12,15,27,29H,13-14H2,1-10H3,(H,25,28);1H.
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride?
N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride has a molecular weight of 441.06 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;hydron;chloride is sourced from PubChem (CID 87689920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).