2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide

C20H23N3O3 — CID 43075100

IUPAC2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-18-8-10-19(11-9-18)26-15-20(24)22-21-14-16-4-6-17(7-5-16)23-12-2-3-13-23/h4-11,14H,2-3,12-13,15H2,1H3,(H,22,24)/b21-14+
InChIKeyDXHNRQSJUCQWQA-KGENOOAVSA-N
MW353.42 g/mol
LogP2.82
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide

2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide (PubChem CID 43075100) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
PubChem CID43075100
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-18-8-10-19(11-9-18)26-15-20(24)22-21-14-16-4-6-17(7-5-16)23-12-2-3-13-23/h4-11,14H,2-3,12-13,15H2,1H3,(H,22,24)/b21-14+
InChIKeyDXHNRQSJUCQWQA-KGENOOAVSA-N
XLogP2.82
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.82
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'}

Analyze 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide 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

N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 7965570
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6114136
methyl 8-oxo-8-[(2E)-2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]octanoate
CID 23976256
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9217584

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide (CID 43075100) is 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is COc1ccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The InChIKey is DXHNRQSJUCQWQA-KGENOOAVSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-18-8-10-19(11-9-18)26-15-20(24)22-21-14-16-4-6-17(7-5-16)23-12-2-3-13-23/h4-11,14H,2-3,12-13,15H2,1H3,(H,22,24)/b21-14+.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 43075100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).