2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone

C24H27N3O4 — CID 10047811

IUPAC2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone
SMILESCO/N=C1\CC(CC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H27N3O4/c1-30-25-21-15-22(16-23(28)26-11-13-31-14-12-26)27(17-21)24(29)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,22H,11-17H2,1H3/b25-21+
InChIKeyJRSBHKKTBVDRGS-NJNXFGOHSA-N
MW421.50 g/mol
LogP2.82
Rot. Bonds5

About 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone

2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone (PubChem CID 10047811) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone
PubChem CID10047811
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone
SMILESCO/N=C1\CC(CC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H27N3O4/c1-30-25-21-15-22(16-23(28)26-11-13-31-14-12-26)27(17-21)24(29)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,22H,11-17H2,1H3/b25-21+
InChIKeyJRSBHKKTBVDRGS-NJNXFGOHSA-N
XLogP2.82
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
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-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone 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

3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one
CID 87236383
methyl 2-[(2S,4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]acetate
CID 140538983
[(2S,4Z)-2-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58585497
[(2S,4Z)-2-(2-hydroxyethyl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58585499
N-(1-hydroxypropan-2-yl)-2-[(2S)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]acetamide
CID 139969868
2-[(2S)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 139969973
(2S,4E)-N'-hydroxy-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboximidamide
CID 86614668
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-[(2S)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]acetamide
CID 139969952
[(2S,4E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 10110957
2-[(2S)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidin-2-yl]-N-methylacetamide
CID 139969842
N-[(2R)-2-hydroxy-2-phenylethyl]-3-[(2R,4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]propanamide
CID 87667337
[(2S,4Z)-4-methoxyimino-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58714570

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone (CID 10047811) is 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone is CO/N=C1\CC(CC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is JRSBHKKTBVDRGS-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-30-25-21-15-22(16-23(28)26-11-13-31-14-12-26)27(17-21)24(29)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,22H,11-17H2,1H3/b25-21+.
What are the key properties of 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone?
2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 421.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 10047811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).