N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide

C23H25N3O3 — CID 92850813

IUPACN-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccccc2C)c1C
InChIInChI=1S/C23H25N3O3/c1-16-9-5-6-10-20(16)26-17(2)13-19(18(26)3)14-24-25-23(27)15-29-22-12-8-7-11-21(22)28-4/h5-14H,15H2,1-4H3,(H,25,27)/b24-14-
InChIKeyYZQSNXDIRDOKMK-OYKKKHCWSA-N
MW391.47 g/mol
LogP3.94
Rot. Bonds7

About N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 92850813) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID92850813
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccccc2C)c1C
InChIInChI=1S/C23H25N3O3/c1-16-9-5-6-10-20(16)26-17(2)13-19(18(26)3)14-24-25-23(27)15-29-22-12-8-7-11-21(22)28-4/h5-14H,15H2,1-4H3,(H,25,27)/b24-14-
InChIKeyYZQSNXDIRDOKMK-OYKKKHCWSA-N
XLogP3.94
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)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-[(Z)-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 92850817
N-[(Z)-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 92850815
methyl 3-[3-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoate
CID 126009453
N-[(Z)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126002577
N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-4-methoxybenzamide
CID 94838562
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
2-(2-chlorophenoxy)-N-[(Z)-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126002607
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 92850813) is N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccccc2C)c1C.
What is the InChIKey of N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is YZQSNXDIRDOKMK-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-9-5-6-10-20(16)26-17(2)13-19(18(26)3)14-24-25-23(27)15-29-22-12-8-7-11-21(22)28-4/h5-14H,15H2,1-4H3,(H,25,27)/b24-14-.
What are the key properties of N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 92850813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).