N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide

C21H25NO3 — CID 166326596

IUPACN-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(O)cc3O)ccc21
InChIInChI=1S/C21H25NO3/c1-20(2)9-10-21(3,4)16-11-13(5-7-15(16)20)19(25)22-17-8-6-14(23)12-18(17)24/h5-8,11-12,23-24H,9-10H2,1-4H3,(H,22,25)
InChIKeyNYTZPMYAODQFTQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.70
Rot. Bonds2

About N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide

N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide (PubChem CID 166326596) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
PubChem CID166326596
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(O)cc3O)ccc21
InChIInChI=1S/C21H25NO3/c1-20(2)9-10-21(3,4)16-11-13(5-7-15(16)20)19(25)22-17-8-6-14(23)12-18(17)24/h5-8,11-12,23-24H,9-10H2,1-4H3,(H,22,25)
InChIKeyNYTZPMYAODQFTQ-UHFFFAOYSA-N
XLogP4.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
CID 171363826
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 18989925
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
ethyl 2-fluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoate
CID 15463178
N-(1H-indol-5-yl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 11559292
5,5,8,8-tetramethyl-N-[4-[(1-oxothiolan-1-ylidene)amino]phenyl]-6,7-dihydronaphthalene-2-carboxamide
CID 166342410
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832367
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
CID 19760315

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide (CID 166326596) is N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide is CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(O)cc3O)ccc21.
What is the InChIKey of N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide?
The InChIKey is NYTZPMYAODQFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-20(2)9-10-21(3,4)16-11-13(5-7-15(16)20)19(25)22-17-8-6-14(23)12-18(17)24/h5-8,11-12,23-24H,9-10H2,1-4H3,(H,22,25).
What are the key properties of N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide?
N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 166326596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).