4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate

C20H22NO6- — CID 4285611

IUPAC4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate
SMILESCOc1ccc(OC)c(NC(=O)CC(Cc2ccccc2OC)C(=O)[O-])c1
InChIInChI=1S/C20H23NO6/c1-25-15-8-9-18(27-3)16(12-15)21-19(22)11-14(20(23)24)10-13-6-4-5-7-17(13)26-2/h4-9,12,14H,10-11H2,1-3H3,(H,21,22)(H,23,24)/p-1
InChIKeyTVYNRPAAXFWNCS-UHFFFAOYSA-M
MW372.40 g/mol
LogP1.65
Rot. Bonds9

About 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate

4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate (PubChem CID 4285611) has the molecular formula C20H22NO6- and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate.

Molecular Properties

Compound Name4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate
PubChem CID4285611
Molecular FormulaC20H22NO6-
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate
SMILESCOc1ccc(OC)c(NC(=O)CC(Cc2ccccc2OC)C(=O)[O-])c1
InChIInChI=1S/C20H23NO6/c1-25-15-8-9-18(27-3)16(12-15)21-19(22)11-14(20(23)24)10-13-6-4-5-7-17(13)26-2/h4-9,12,14H,10-11H2,1-3H3,(H,21,22)(H,23,24)/p-1
InChIKeyTVYNRPAAXFWNCS-UHFFFAOYSA-M
XLogP1.65
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate with MolForge

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119420675
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2,5-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663324
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335677
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
(3R)-4-(2,5-dimethoxyanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoate
CID 7349075

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate?
The IUPAC name of 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate (CID 4285611) is 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate.
What is the SMILES notation for 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate?
The canonical SMILES for 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate is COc1ccc(OC)c(NC(=O)CC(Cc2ccccc2OC)C(=O)[O-])c1.
What is the InChIKey of 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate?
The InChIKey is TVYNRPAAXFWNCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23NO6/c1-25-15-8-9-18(27-3)16(12-15)21-19(22)11-14(20(23)24)10-13-6-4-5-7-17(13)26-2/h4-9,12,14H,10-11H2,1-3H3,(H,21,22)(H,23,24)/p-1.
What are the key properties of 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate?
4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate has a molecular weight of 372.40 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyanilino)-2-[(2-methoxyphenyl)methyl]-4-oxobutanoate is sourced from PubChem (CID 4285611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).