[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

C21H24N2O7 — CID 7827506

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccccc2OC)c(OC)c1
InChIInChI=1S/C21H24N2O7/c1-27-14-8-9-16(18(12-14)29-3)23-19(24)13-30-20(25)10-11-22-21(26)15-6-4-5-7-17(15)28-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyWJUZFQHPIYSRHE-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.01
Rot. Bonds10

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827506) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827506
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccccc2OC)c(OC)c1
InChIInChI=1S/C21H24N2O7/c1-27-14-8-9-16(18(12-14)29-3)23-19(24)13-30-20(25)10-11-22-21(26)15-6-4-5-7-17(15)28-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyWJUZFQHPIYSRHE-UHFFFAOYSA-N
XLogP2.01
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate with MolForge

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Related Compounds

N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827687
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827702
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 17260595
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523284
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602437
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827506) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccc(NC(=O)COC(=O)CCNC(=O)c2ccccc2OC)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is WJUZFQHPIYSRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-27-14-8-9-16(18(12-14)29-3)23-19(24)13-30-20(25)10-11-22-21(26)15-6-4-5-7-17(15)28-2/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 416.43 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).