N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide

C27H24N4O5 — CID 25162408

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C27H24N4O5/c1-3-30(16-24(33)29-20-12-10-19(11-13-20)28-17(2)32)25(34)18-8-14-21(15-9-18)31-26(35)22-6-4-5-7-23(22)27(31)36/h4-15H,3,16H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyDGWDMXVSZHGBBT-UHFFFAOYSA-N
MW484.51 g/mol
LogP3.55
Rot. Bonds7

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide (PubChem CID 25162408) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
PubChem CID25162408
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C27H24N4O5/c1-3-30(16-24(33)29-20-12-10-19(11-13-20)28-17(2)32)25(34)18-8-14-21(15-9-18)31-26(35)22-6-4-5-7-23(22)27(31)36/h4-15H,3,16H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyDGWDMXVSZHGBBT-UHFFFAOYSA-N
XLogP3.55
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 25161545
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
ethyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24530050
4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168516849
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide (CID 25162408) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The InChIKey is DGWDMXVSZHGBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-3-30(16-24(33)29-20-12-10-19(11-13-20)28-17(2)32)25(34)18-8-14-21(15-9-18)31-26(35)22-6-4-5-7-23(22)27(31)36/h4-15H,3,16H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide has a molecular weight of 484.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide is sourced from PubChem (CID 25162408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).