4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide

C24H27N3O2 — CID 40512293

IUPAC4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-5-26(6-2)24(29)20-9-13-21(14-10-20)25-23(28)19-11-15-22(16-12-19)27-17(3)7-8-18(27)4/h7-16H,5-6H2,1-4H3,(H,25,28)
InChIKeyCEEBHLPKKRHONE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.83
Rot. Bonds6

About 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide

4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide (PubChem CID 40512293) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
PubChem CID40512293
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-5-26(6-2)24(29)20-9-13-21(14-10-20)25-23(28)19-11-15-22(16-12-19)27-17(3)7-8-18(27)4/h7-16H,5-6H2,1-4H3,(H,25,28)
InChIKeyCEEBHLPKKRHONE-UHFFFAOYSA-N
XLogP4.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
CID 78777192
N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 9047752
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 32620770
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964039
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide (CID 40512293) is 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1.
What is the InChIKey of 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
The InChIKey is CEEBHLPKKRHONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-26(6-2)24(29)20-9-13-21(14-10-20)25-23(28)19-11-15-22(16-12-19)27-17(3)7-8-18(27)4/h7-16H,5-6H2,1-4H3,(H,25,28).
What are the key properties of 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 40512293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).