2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide

C20H27N3O — CID 7929331

IUPAC2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide
SMILESC/C(CCC(C)C)=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C20H27N3O/c1-14(2)11-12-15(3)21-22-20(24)19-13-16(4)23(17(19)5)18-9-7-6-8-10-18/h6-10,13-14H,11-12H2,1-5H3,(H,22,24)/b21-15-
InChIKeyWIWPWSBCPYHQBZ-QNGOZBTKSA-N
MW325.46 g/mol
LogP4.64
Rot. Bonds6

About 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide

2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide (PubChem CID 7929331) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide
PubChem CID7929331
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide
SMILESC/C(CCC(C)C)=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C20H27N3O/c1-14(2)11-12-15(3)21-22-20(24)19-13-16(4)23(17(19)5)18-9-7-6-8-10-18/h6-10,13-14H,11-12H2,1-5H3,(H,22,24)/b21-15-
InChIKeyWIWPWSBCPYHQBZ-QNGOZBTKSA-N
XLogP4.64
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
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'}

Analyze 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-1-phenyl-N-[(Z)-1-phenylpropylideneamino]pyrrole-3-carboxamide
CID 7929302
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929263
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 97339825
2,5-dimethyl-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-1-phenylpyrrole-3-carboxamide
CID 7929423
5-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]pentanoic acid
CID 119234907
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N-[4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 4057922
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
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-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide (CID 7929331) is 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide is C/C(CCC(C)C)=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide?
The InChIKey is WIWPWSBCPYHQBZ-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)11-12-15(3)21-22-20(24)19-13-16(4)23(17(19)5)18-9-7-6-8-10-18/h6-10,13-14H,11-12H2,1-5H3,(H,22,24)/b21-15-.
What are the key properties of 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide?
2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 7929331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).