N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide

C19H23NO5 — CID 139923822

IUPACN-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(O)ccc(C(C)(C)C)c2O)cc1OC
InChIInChI=1S/C19H23NO5/c1-19(2,3)12-7-8-13(21)16(17(12)22)20-18(23)11-6-9-14(24-4)15(10-11)25-5/h6-10,21-22H,1-5H3,(H,20,23)
InChIKeySTWQNEYZDCPRGG-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.66
Rot. Bonds4

About N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide

N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide (PubChem CID 139923822) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide
PubChem CID139923822
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(O)ccc(C(C)(C)C)c2O)cc1OC
InChIInChI=1S/C19H23NO5/c1-19(2,3)12-7-8-13(21)16(17(12)22)20-18(23)11-6-9-14(24-4)15(10-11)25-5/h6-10,21-22H,1-5H3,(H,20,23)
InChIKeySTWQNEYZDCPRGG-UHFFFAOYSA-N
XLogP3.66
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide
CID 110761309
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
N-[2-[[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 136648311
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5228987
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide (CID 139923822) is N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2c(O)ccc(C(C)(C)C)c2O)cc1OC.
What is the InChIKey of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide?
The InChIKey is STWQNEYZDCPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-19(2,3)12-7-8-13(21)16(17(12)22)20-18(23)11-6-9-14(24-4)15(10-11)25-5/h6-10,21-22H,1-5H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide?
N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 139923822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).