N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide

C34H38N2O6 — CID 158026912

IUPACN-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O)c(NC(=O)c2ccccc2)c1O.O=C(Nc1c(O)cccc1O)c1ccccc1
InChIInChI=1S/C21H27NO3.C13H11NO3/c1-20(2,3)14-12-15(21(4,5)6)18(24)16(17(14)23)22-19(25)13-10-8-7-9-11-13;15-10-7-4-8-11(16)12(10)14-13(17)9-5-2-1-3-6-9/h7-12,23-24H,1-6H3,(H,22,25);1-8,15-16H,(H,14,17)
InChIKeyFGSCTFYXYQTONZ-UHFFFAOYSA-N
MW570.69 g/mol
LogP7.30
Rot. Bonds4

About N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide

N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide (PubChem CID 158026912) has the molecular formula C34H38N2O6 and a molecular weight of 570.69 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide
PubChem CID158026912
Molecular FormulaC34H38N2O6
Molecular Weight570.69 g/mol
Exact Mass570.27
IUPAC NameN-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O)c(NC(=O)c2ccccc2)c1O.O=C(Nc1c(O)cccc1O)c1ccccc1
InChIInChI=1S/C21H27NO3.C13H11NO3/c1-20(2,3)14-12-15(21(4,5)6)18(24)16(17(14)23)22-19(25)13-10-8-7-9-11-13;15-10-7-4-8-11(16)12(10)14-13(17)9-5-2-1-3-6-9/h7-12,23-24H,1-6H3,(H,22,25);1-8,15-16H,(H,14,17)
InChIKeyFGSCTFYXYQTONZ-UHFFFAOYSA-N
XLogP7.30
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 57.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide
CID 139923803
N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide
CID 139923822
(Z)-2-benzamido-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 5369834
methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3,3-diphenylprop-2-enoate
CID 132937099
N-(2-benzoyl-4-tert-butyl-6-methylphenyl)benzamide
CID 175508225
N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide
CID 139923830
3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide
CID 174538499
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
3,5-ditert-butyl-4-hydroxy-N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]benzamide
CID 54076657
N-(3,6-dibromo-2-hydroxyphenyl)benzamide
CID 10690575
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide?
The IUPAC name of N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide (CID 158026912) is N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide.
What is the SMILES notation for N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide?
The canonical SMILES for N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide is CC(C)(C)c1cc(C(C)(C)C)c(O)c(NC(=O)c2ccccc2)c1O.O=C(Nc1c(O)cccc1O)c1ccccc1.
What is the InChIKey of N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide?
The InChIKey is FGSCTFYXYQTONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3.C13H11NO3/c1-20(2,3)14-12-15(21(4,5)6)18(24)16(17(14)23)22-19(25)13-10-8-7-9-11-13;15-10-7-4-8-11(16)12(10)14-13(17)9-5-2-1-3-6-9/h7-12,23-24H,1-6H3,(H,22,25);1-8,15-16H,(H,14,17).
What are the key properties of N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide?
N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide has a molecular weight of 570.69 g/mol, XLogP of 7.30, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide is sourced from PubChem (CID 158026912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).