2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide

C22H23N3O — CID 7929302

IUPAC2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-4-21(18-11-7-5-8-12-18)23-24-22(26)20-15-16(2)25(17(20)3)19-13-9-6-10-14-19/h5-15H,4H2,1-3H3,(H,24,26)/b23-21-
InChIKeyFKFYDPYTIYYIRG-LNVKXUELSA-N
MW345.45 g/mol
LogP4.64
Rot. Bonds5

About 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide

2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide (PubChem CID 7929302) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
PubChem CID7929302
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-4-21(18-11-7-5-8-12-18)23-24-22(26)20-15-16(2)25(17(20)3)19-13-9-6-10-14-19/h5-15H,4H2,1-3H3,(H,24,26)/b23-21-
InChIKeyFKFYDPYTIYYIRG-LNVKXUELSA-N
XLogP4.64
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide
CID 7929331
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
2,5-dimethyl-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-1-phenylpyrrole-3-carboxamide
CID 7929423
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929263
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929317
2,5-dimethyl-N-[(4-phenoxyphenyl)methylideneamino]-1-phenylpyrrole-3-carboxamide
CID 2403557

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide (CID 7929302) is 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide is CC/C(=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide?
The InChIKey is FKFYDPYTIYYIRG-LNVKXUELSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-21(18-11-7-5-8-12-18)23-24-22(26)20-15-16(2)25(17(20)3)19-13-9-6-10-14-19/h5-15H,4H2,1-3H3,(H,24,26)/b23-21-.
What are the key properties of 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide?
2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide is sourced from PubChem (CID 7929302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).