N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide

C17H18N2O3 — CID 27157902

IUPACN-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccccc2O)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-7-8-13(9-12(11)2)17(22)18-10-16(21)19-14-5-3-4-6-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyJLDINOJRRQXOCJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 27157902) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID27157902
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccccc2O)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-7-8-13(9-12(11)2)17(22)18-10-16(21)19-14-5-3-4-6-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyJLDINOJRRQXOCJ-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]-3,4-dimethylbenzamide
CID 9411325
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112997491
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 9089623
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
CID 47378451
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
3,4-dimethyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416977
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 27157902) is N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccccc2O)cc1C.
What is the InChIKey of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is JLDINOJRRQXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-8-13(9-12(11)2)17(22)18-10-16(21)19-14-5-3-4-6-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide 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-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 27157902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).