N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide

C17H18N2O3 — CID 9495518

IUPACN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C17H18N2O3/c1-11-4-3-5-13(8-11)17(22)18-10-16(21)19-14-7-6-12(2)9-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyOPSZYDTWLMUKST-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide

N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 9495518) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
PubChem CID9495518
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C17H18N2O3/c1-11-4-3-5-13(8-11)17(22)18-10-16(21)19-14-7-6-12(2)9-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyOPSZYDTWLMUKST-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 17457142
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-methylbenzamide
CID 884861
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
CID 30828617

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide (CID 9495518) is N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)Nc2ccc(C)cc2O)c1.
What is the InChIKey of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is OPSZYDTWLMUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-4-3-5-13(8-11)17(22)18-10-16(21)19-14-7-6-12(2)9-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 9495518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).