2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide

C22H23N3O3 — CID 50857597

IUPAC2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide
SMILESCOc1ccc(-n2cc(/C=N/NC(=O)Cc3cccc(OC)c3)cc2C)cc1
InChIInChI=1S/C22H23N3O3/c1-16-11-18(15-25(16)19-7-9-20(27-2)10-8-19)14-23-24-22(26)13-17-5-4-6-21(12-17)28-3/h4-12,14-15H,13H2,1-3H3,(H,24,26)/b23-14+
InChIKeyVXLDCEXHYACGKO-OEAKJJBVSA-N
MW377.44 g/mol
LogP3.50
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide

2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide (PubChem CID 50857597) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide
PubChem CID50857597
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide
SMILESCOc1ccc(-n2cc(/C=N/NC(=O)Cc3cccc(OC)c3)cc2C)cc1
InChIInChI=1S/C22H23N3O3/c1-16-11-18(15-25(16)19-7-9-20(27-2)10-8-19)14-23-24-22(26)13-17-5-4-6-21(12-17)28-3/h4-12,14-15H,13H2,1-3H3,(H,24,26)/b23-14+
InChIKeyVXLDCEXHYACGKO-OEAKJJBVSA-N
XLogP3.50
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50857477
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135719851
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]thiourea
CID 50857651
4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
CID 50857660
N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50857678
2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-4-methylbenzamide
CID 50857637
2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 50857638
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 126103968

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide (CID 50857597) is 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide is COc1ccc(-n2cc(/C=N/NC(=O)Cc3cccc(OC)c3)cc2C)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide?
The InChIKey is VXLDCEXHYACGKO-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-11-18(15-25(16)19-7-9-20(27-2)10-8-19)14-23-24-22(26)13-17-5-4-6-21(12-17)28-3/h4-12,14-15H,13H2,1-3H3,(H,24,26)/b23-14+.
What are the key properties of 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide?
2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 50857597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).