[4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone

C22H26N2O3 — CID 178063728

IUPAC[4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone
SMILESCON=C1CC(CO)N(C(=O)c2ccc(-c3cccc(C)c3C)cc2C)C1
InChIInChI=1S/C22H26N2O3/c1-14-6-5-7-21(16(14)3)17-8-9-20(15(2)10-17)22(26)24-12-18(23-27-4)11-19(24)13-25/h5-10,19,25H,11-13H2,1-4H3
InChIKeyUOKIAVAKIDCBPY-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.49
Rot. Bonds4

About [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone

[4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone (PubChem CID 178063728) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone
PubChem CID178063728
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone
SMILESCON=C1CC(CO)N(C(=O)c2ccc(-c3cccc(C)c3C)cc2C)C1
InChIInChI=1S/C22H26N2O3/c1-14-6-5-7-21(16(14)3)17-8-9-20(15(2)10-17)22(26)24-12-18(23-27-4)11-19(24)13-25/h5-10,19,25H,11-13H2,1-4H3
InChIKeyUOKIAVAKIDCBPY-UHFFFAOYSA-N
XLogP3.49
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
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'}

Analyze [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone (CID 178063728) is [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone is CON=C1CC(CO)N(C(=O)c2ccc(-c3cccc(C)c3C)cc2C)C1.
What is the InChIKey of [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone?
The InChIKey is UOKIAVAKIDCBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-6-5-7-21(16(14)3)17-8-9-20(15(2)10-17)22(26)24-12-18(23-27-4)11-19(24)13-25/h5-10,19,25H,11-13H2,1-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone?
[4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)-2-methylphenyl]-[2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]methanone is sourced from PubChem (CID 178063728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).