N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide

C27H25N3O6 — CID 2717851

IUPACN-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C27H25N3O6/c1-35-19-12-13-21(23(14-19)36-2)28-24(31)16-29(15-18-8-4-3-5-9-18)25(32)17-30-22-11-7-6-10-20(22)26(33)27(30)34/h3-14H,15-17H2,1-2H3,(H,28,31)
InChIKeyRMMDGLLOZOADOA-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.90
Rot. Bonds9

About N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide

N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide (PubChem CID 2717851) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide
PubChem CID2717851
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC NameN-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C27H25N3O6/c1-35-19-12-13-21(23(14-19)36-2)28-24(31)16-29(15-18-8-4-3-5-9-18)25(32)17-30-22-11-7-6-10-20(22)26(33)27(30)34/h3-14H,15-17H2,1-2H3,(H,28,31)
InChIKeyRMMDGLLOZOADOA-UHFFFAOYSA-N
XLogP2.90
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 2717852
(2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 2717853
2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 43819709
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-methylbutanamide
CID 43819725
(2S)-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 2717855
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 43819742
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
CID 43819769
2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 43819786
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
CID 43819740
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-2-methylpropanamide
CID 43819875
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-3-methylbutanamide
CID 43819873

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide (CID 2717851) is N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide is COc1ccc(NC(=O)CN(Cc2ccccc2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1.
What is the InChIKey of N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide?
The InChIKey is RMMDGLLOZOADOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-35-19-12-13-21(23(14-19)36-2)28-24(31)16-29(15-18-8-4-3-5-9-18)25(32)17-30-22-11-7-6-10-20(22)26(33)27(30)34/h3-14H,15-17H2,1-2H3,(H,28,31).
What are the key properties of N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide?
N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide has a molecular weight of 487.51 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 2717851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).