N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide

C19H23NO4 — CID 134008779

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1OC
InChIInChI=1S/C19H23NO4/c1-19(2,3)12-9-10-15(21)14(11-12)20-18(22)13-7-6-8-16(23-4)17(13)24-5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyYCRUYVNJKZEXEN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.96
Rot. Bonds4

About N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide

N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide (PubChem CID 134008779) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
PubChem CID134008779
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1OC
InChIInChI=1S/C19H23NO4/c1-19(2,3)12-9-10-15(21)14(11-12)20-18(22)13-7-6-8-16(23-4)17(13)24-5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyYCRUYVNJKZEXEN-UHFFFAOYSA-N
XLogP3.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethoxyphenyl)-2-hydroxybenzamide
CID 90715346
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
CID 35281552
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
CID 24691830
methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46491540
N-(5-tert-butyl-2-hydroxyphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628595

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide (CID 134008779) is N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1OC.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide?
The InChIKey is YCRUYVNJKZEXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,3)12-9-10-15(21)14(11-12)20-18(22)13-7-6-8-16(23-4)17(13)24-5/h6-11,21H,1-5H3,(H,20,22).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 134008779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).