2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide

C18H20N2O4 — CID 9495521

IUPAC2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C18H20N2O4/c1-3-24-16-7-5-4-6-13(16)18(23)19-11-17(22)20-14-9-8-12(2)10-15(14)21/h4-10,21H,3,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyXYRDKPVJQFAXTD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.47
Rot. Bonds6

About 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide

2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 9495521) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
PubChem CID9495521
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C18H20N2O4/c1-3-24-16-7-5-4-6-13(16)18(23)19-11-17(22)20-14-9-8-12(2)10-15(14)21/h4-10,21H,3,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyXYRDKPVJQFAXTD-UHFFFAOYSA-N
XLogP2.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 17457142
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide
CID 2566216
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 4926717
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959821

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide (CID 9495521) is 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(C)cc1O.
What is the InChIKey of 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is XYRDKPVJQFAXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-24-16-7-5-4-6-13(16)18(23)19-11-17(22)20-14-9-8-12(2)10-15(14)21/h4-10,21H,3,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide?
2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9495521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).