N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C23H26N2O3 — CID 34741571

IUPACN-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(C)n(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H26N2O3/c1-5-27-19-12-13-22(28-6-2)21(15-19)24-23(26)20-14-16(3)25(17(20)4)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H,24,26)
InChIKeyIPUNQYVKDLAWQO-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.14
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 34741571) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID34741571
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(C)n(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H26N2O3/c1-5-27-19-12-13-22(28-6-2)21(15-19)24-23(26)20-14-16(3)25(17(20)4)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H,24,26)
InChIKeyIPUNQYVKDLAWQO-UHFFFAOYSA-N
XLogP5.14
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
N-(2,5-diethoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18205806
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
1-(4-ethoxyphenyl)-2,5-dimethyl-N-phosphonatopyrrole-3-carboxamide
CID 7689761
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
CID 13003888
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664091
1-(3-bromophenyl)-N-(2,5-diethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55875233

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 34741571) is N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cc(C)n(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is IPUNQYVKDLAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-27-19-12-13-22(28-6-2)21(15-19)24-23(26)20-14-16(3)25(17(20)4)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H,24,26).
What are the key properties of N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 34741571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).