3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide

C20H24N2O5 — CID 17457142

IUPAC3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2O)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-4-26-17-9-7-14(11-18(17)27-5-2)20(25)21-12-19(24)22-15-8-6-13(3)10-16(15)23/h6-11,23H,4-5,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyINEJLRXUOOPZMK-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.87
Rot. Bonds8

About 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 17457142) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
PubChem CID17457142
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2O)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-4-26-17-9-7-14(11-18(17)27-5-2)20(25)21-12-19(24)22-15-8-6-13(3)10-16(15)23/h6-11,23H,4-5,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyINEJLRXUOOPZMK-UHFFFAOYSA-N
XLogP2.87
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.87
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

3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 9495521
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
CID 26071019
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide (CID 17457142) is 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2O)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is INEJLRXUOOPZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-26-17-9-7-14(11-18(17)27-5-2)20(25)21-12-19(24)22-15-8-6-13(3)10-16(15)23/h6-11,23H,4-5,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 17457142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).