1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

C20H23N3O3 — CID 109048426

IUPAC1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)20(26)16-8-6-15(7-9-16)19(25)22-18-12-10-17(11-13-18)21-14(3)24/h6-13H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyOYGJZANDFCAYML-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.38
Rot. Bonds6

About 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (PubChem CID 109048426) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
PubChem CID109048426
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)20(26)16-8-6-15(7-9-16)19(25)22-18-12-10-17(11-13-18)21-14(3)24/h6-13H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyOYGJZANDFCAYML-UHFFFAOYSA-N
XLogP3.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
N-[4-(diethylcarbamoyl)phenyl]-2,4,6-trimethylbenzamide
CID 112793726
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (CID 109048426) is 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The InChIKey is OYGJZANDFCAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23(5-2)20(26)16-8-6-15(7-9-16)19(25)22-18-12-10-17(11-13-18)21-14(3)24/h6-13H,4-5H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).