N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

C23H25N3O3 — CID 2368103

IUPACN-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCCCOc1ccc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(O)c1
InChIInChI=1S/C23H25N3O3/c1-4-12-29-20-11-10-18(22(27)14-20)15-24-25-23(28)21-13-16(2)26(17(21)3)19-8-6-5-7-9-19/h5-11,13-15,27H,4,12H2,1-3H3,(H,25,28)
InChIKeyJFXIZEYWUWTBPF-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.35
Rot. Bonds7

About N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide

N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (PubChem CID 2368103) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
PubChem CID2368103
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
SMILESCCCOc1ccc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(O)c1
InChIInChI=1S/C23H25N3O3/c1-4-12-29-20-11-10-18(22(27)14-20)15-24-25-23(28)21-13-16(2)26(17(21)3)19-8-6-5-7-9-19/h5-11,13-15,27H,4,12H2,1-3H3,(H,25,28)
InChIKeyJFXIZEYWUWTBPF-UHFFFAOYSA-N
XLogP4.35
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2,5-dimethyl-N-[(4-phenoxyphenyl)methylideneamino]-1-phenylpyrrole-3-carboxamide
CID 2403557
N-[(E)-benzylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 42991403
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643465
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 135614713
N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-4-propoxybenzamide
CID 133169634
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591232
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929290
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929263
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929317
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
N-[(Z)-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-propoxybenzamide
CID 92658994

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide (CID 2368103) is N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is CCCOc1ccc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c(O)c1.
What is the InChIKey of N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
The InChIKey is JFXIZEYWUWTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-12-29-20-11-10-18(22(27)14-20)15-24-25-23(28)21-13-16(2)26(17(21)3)19-8-6-5-7-9-19/h5-11,13-15,27H,4,12H2,1-3H3,(H,25,28).
What are the key properties of N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide?
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 2368103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).