2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide

C21H21N3O2 — CID 50857477

IUPAC2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
SMILESCOc1cccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O2/c1-16-11-18(15-24(16)19-8-4-3-5-9-19)14-22-23-21(25)13-17-7-6-10-20(12-17)26-2/h3-12,14-15H,13H2,1-2H3,(H,23,25)/b22-14+
InChIKeyOZECOCOGHPNCKU-HYARGMPZSA-N
MW347.42 g/mol
LogP3.49
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide (PubChem CID 50857477) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
PubChem CID50857477
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
SMILESCOc1cccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O2/c1-16-11-18(15-24(16)19-8-4-3-5-9-19)14-22-23-21(25)13-17-7-6-10-20(12-17)26-2/h3-12,14-15H,13H2,1-2H3,(H,23,25)/b22-14+
InChIKeyOZECOCOGHPNCKU-HYARGMPZSA-N
XLogP3.49
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide
CID 50857597
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135719851
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 126103968
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857574
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-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]thiourea
CID 50857651

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide (CID 50857477) is 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide is COc1cccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide?
The InChIKey is OZECOCOGHPNCKU-HYARGMPZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-11-18(15-24(16)19-8-4-3-5-9-19)14-22-23-21(25)13-17-7-6-10-20(12-17)26-2/h3-12,14-15H,13H2,1-2H3,(H,23,25)/b22-14+.
What are the key properties of 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide?
2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 50857477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).