2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

C17H18N2O4 — CID 39122596

IUPAC2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-19(17(22)14-5-3-4-6-15(14)20)11-16(21)18-12-7-9-13(23-2)10-8-12/h3-10,20H,11H2,1-2H3,(H,18,21)
InChIKeyNNCSRTNTQSSHJW-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.11
Rot. Bonds5

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

2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 39122596) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID39122596
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-19(17(22)14-5-3-4-6-15(14)20)11-16(21)18-12-7-9-13(23-2)10-8-12/h3-10,20H,11H2,1-2H3,(H,18,21)
InChIKeyNNCSRTNTQSSHJW-UHFFFAOYSA-N
XLogP2.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
2-(difluoromethylsulfanyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 18189532
2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 38008073
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
5-acetyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9089320
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(4-methoxyanilino)-N-methylbenzamide
CID 55957168
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 39122596) is 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is COc1ccc(NC(=O)CN(C)C(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is NNCSRTNTQSSHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-19(17(22)14-5-3-4-6-15(14)20)11-16(21)18-12-7-9-13(23-2)10-8-12/h3-10,20H,11H2,1-2H3,(H,18,21).
What are the key properties of 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 39122596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).