3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane

C24H31N3O6 — CID 143421275

IUPAC3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane
SMILESCC.COc1ccc(Nc2cccc(C(=O)N(C)C3(C)CCC(=O)NO3)c2C=O)c(OC)c1
InChIInChI=1S/C22H25N3O6.C2H6/c1-22(11-10-20(27)24-31-22)25(2)21(28)15-6-5-7-17(16(15)13-26)23-18-9-8-14(29-3)12-19(18)30-4;1-2/h5-9,12-13,23H,10-11H2,1-4H3,(H,24,27);1-2H3
InChIKeyVYNWFCHAMLNYFY-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.92
Rot. Bonds7

About 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane

3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane (PubChem CID 143421275) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane.

Molecular Properties

Compound Name3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane
PubChem CID143421275
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Name3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane
SMILESCC.COc1ccc(Nc2cccc(C(=O)N(C)C3(C)CCC(=O)NO3)c2C=O)c(OC)c1
InChIInChI=1S/C22H25N3O6.C2H6/c1-22(11-10-20(27)24-31-22)25(2)21(28)15-6-5-7-17(16(15)13-26)23-18-9-8-14(29-3)12-19(18)30-4;1-2/h5-9,12-13,23H,10-11H2,1-4H3,(H,24,27);1-2H3
InChIKeyVYNWFCHAMLNYFY-UHFFFAOYSA-N
XLogP3.92
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyanilino)phthalic acid
CID 58307328
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
dimethyl 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,2-dicarboxylate
CID 58307247
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane?
The IUPAC name of 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane (CID 143421275) is 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane.
What is the SMILES notation for 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane?
The canonical SMILES for 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane is CC.COc1ccc(Nc2cccc(C(=O)N(C)C3(C)CCC(=O)NO3)c2C=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane?
The InChIKey is VYNWFCHAMLNYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6.C2H6/c1-22(11-10-20(27)24-31-22)25(2)21(28)15-6-5-7-17(16(15)13-26)23-18-9-8-14(29-3)12-19(18)30-4;1-2/h5-9,12-13,23H,10-11H2,1-4H3,(H,24,27);1-2H3.
What are the key properties of 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane?
3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane has a molecular weight of 457.53 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyanilino)-2-formyl-N-methyl-N-(6-methyl-3-oxooxazinan-6-yl)benzamide;ethane is sourced from PubChem (CID 143421275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).