3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one

C25H29N3O4 — CID 87236383

IUPAC3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCO/N=C1/CC(CCC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C25H29N3O4/c1-31-26-22-17-23(11-12-24(29)27-13-15-32-16-14-27)28(18-22)25(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,23H,11-18H2,1H3/b26-22-
InChIKeyPMALGQHRYVRUFC-ROMGYVFFSA-N
MW435.52 g/mol
LogP3.21
Rot. Bonds6

About 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one

3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 87236383) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID87236383
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCO/N=C1/CC(CCC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C25H29N3O4/c1-31-26-22-17-23(11-12-24(29)27-13-15-32-16-14-27)28(18-22)25(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,23H,11-18H2,1H3/b26-22-
InChIKeyPMALGQHRYVRUFC-ROMGYVFFSA-N
XLogP3.21
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.21
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 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one 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

2-[(4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylethanone
CID 10047811
[(2S,4Z)-2-(2-hydroxyethyl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58585499
[(2S,4Z)-2-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58585497
methyl 2-[(2S,4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]acetate
CID 140538983
N-[(2R)-2-hydroxy-2-phenylethyl]-3-[(2R,4E)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]propanamide
CID 87667337
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,4Z)-4-methoxyimino-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58714570
(2S,4E)-N'-hydroxy-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboximidamide
CID 86614668
[(2S,4E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 10110957
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-[(2S)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]acetamide
CID 139969952
[(2S,4E)-2-(5-ethenyl-1,2,4-oxadiazol-3-yl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 10293622

Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one (CID 87236383) is 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one is CO/N=C1/CC(CCC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PMALGQHRYVRUFC-ROMGYVFFSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-31-26-22-17-23(11-12-24(29)27-13-15-32-16-14-27)28(18-22)25(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,23H,11-18H2,1H3/b26-22-.
What are the key properties of 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one?
3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 435.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 87236383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).