2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide

C24H26N2O3 — CID 22515493

IUPAC2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1
InChIInChI=1S/C24H26N2O3/c1-6-29-20-11-9-19(10-12-20)25-24(28)23(27)21-14-17(4)26(18(21)5)22-13-15(2)7-8-16(22)3/h7-14H,6H2,1-5H3,(H,25,28)
InChIKeyBOWIPZJRDYGVLM-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.93
Rot. Bonds6

About 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide

2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide (PubChem CID 22515493) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide
PubChem CID22515493
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1
InChIInChI=1S/C24H26N2O3/c1-6-29-20-11-9-19(10-12-20)25-24(28)23(27)21-14-17(4)26(18(21)5)22-13-15(2)7-8-16(22)3/h7-14H,6H2,1-5H3,(H,25,28)
InChIKeyBOWIPZJRDYGVLM-UHFFFAOYSA-N
XLogP4.93
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 22515492
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
2-[4-(2,5-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 4752568
4-(2,5-dimethylphenyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
CID 17171495
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N'-(4-bromo-3-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 108514525
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide (CID 22515493) is 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide?
The InChIKey is BOWIPZJRDYGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-6-29-20-11-9-19(10-12-20)25-24(28)23(27)21-14-17(4)26(18(21)5)22-13-15(2)7-8-16(22)3/h7-14H,6H2,1-5H3,(H,25,28).
What are the key properties of 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide?
2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide has a molecular weight of 390.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 22515493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).