[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate

C22H25N3O5 — CID 7957923

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H25N3O5/c1-4-25(5-2)21(28)16-6-10-19(11-7-16)24-20(27)14-30-22(29)17-8-12-18(13-9-17)23-15(3)26/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWXJAYADXNNTYQI-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.92
Rot. Bonds8

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 7957923) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
PubChem CID7957923
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H25N3O5/c1-4-25(5-2)21(28)16-6-10-19(11-7-16)24-20(27)14-30-22(29)17-8-12-18(13-9-17)23-15(3)26/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWXJAYADXNNTYQI-UHFFFAOYSA-N
XLogP2.92
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605170
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146937
4-O-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851851
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate (CID 7957923) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate is CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is WXJAYADXNNTYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-4-25(5-2)21(28)16-6-10-19(11-7-16)24-20(27)14-30-22(29)17-8-12-18(13-9-17)23-15(3)26/h6-13H,4-5,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 411.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 7957923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).