N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide

C21H25NO6 — CID 75401141

IUPACN-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(C(C)=O)ccc2O)cc(OCC)c1OCC
InChIInChI=1S/C21H25NO6/c1-5-26-18-11-15(12-19(27-6-2)20(18)28-7-3)21(25)22-16-10-14(13(4)23)8-9-17(16)24/h8-12,24H,5-7H2,1-4H3,(H,22,25)
InChIKeyFERLQMDGTHJYKU-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.04
Rot. Bonds9

About N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide

N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide (PubChem CID 75401141) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
PubChem CID75401141
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC NameN-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(C(C)=O)ccc2O)cc(OCC)c1OCC
InChIInChI=1S/C21H25NO6/c1-5-26-18-11-15(12-19(27-6-2)20(18)28-7-3)21(25)22-16-10-14(13(4)23)8-9-17(16)24/h8-12,24H,5-7H2,1-4H3,(H,22,25)
InChIKeyFERLQMDGTHJYKU-UHFFFAOYSA-N
XLogP4.04
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753995
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide (CID 75401141) is N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2cc(C(C)=O)ccc2O)cc(OCC)c1OCC.
What is the InChIKey of N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide?
The InChIKey is FERLQMDGTHJYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-5-26-18-11-15(12-19(27-6-2)20(18)28-7-3)21(25)22-16-10-14(13(4)23)8-9-17(16)24/h8-12,24H,5-7H2,1-4H3,(H,22,25).
What are the key properties of N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide?
N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide has a molecular weight of 387.43 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 75401141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).