3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one

C25H29N3O3 — CID 173391050

IUPAC3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one
SMILESCC(C=C1C(=O)N(c2ccccc2)C1c1ccccc1)=NOCCCN1CCOCC1
InChIInChI=1S/C25H29N3O3/c1-20(26-31-16-8-13-27-14-17-30-18-15-27)19-23-24(21-9-4-2-5-10-21)28(25(23)29)22-11-6-3-7-12-22/h2-7,9-12,19,24H,8,13-18H2,1H3
InChIKeyVVZWXCGCRDEJES-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.82
Rot. Bonds8

About 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one

3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one (PubChem CID 173391050) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one
PubChem CID173391050
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one
SMILESCC(C=C1C(=O)N(c2ccccc2)C1c1ccccc1)=NOCCCN1CCOCC1
InChIInChI=1S/C25H29N3O3/c1-20(26-31-16-8-13-27-14-17-30-18-15-27)19-23-24(21-9-4-2-5-10-21)28(25(23)29)22-11-6-3-7-12-22/h2-7,9-12,19,24H,8,13-18H2,1H3
InChIKeyVVZWXCGCRDEJES-UHFFFAOYSA-N
XLogP3.82
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-(2-methylphenyl)-3-[(2E)-2-(3-morpholin-4-ylpropoxyimino)propylidene]-4-phenylazetidin-2-one
CID 88605202
methyl 4-[(3E)-3-[(2E)-2-[3-(dibutylamino)propoxyimino]propylidene]-2-oxo-4-phenylazetidin-1-yl]benzoate
CID 23035647
(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione
CID 3003591
(3E)-3-[2-(8-aminododecan-3-yloxyimino)propylidene]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 88611973
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
(4E,5S)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 5447493
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 1155121
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 3146487
3-acetyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3141352
(Z)-1-(furan-2-yl)-N-(2-morpholin-4-ylethoxy)ethanimine
CID 11558150
(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1130573
4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
CID 3676925

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one?
The IUPAC name of 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one (CID 173391050) is 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one.
What is the SMILES notation for 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one?
The canonical SMILES for 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one is CC(C=C1C(=O)N(c2ccccc2)C1c1ccccc1)=NOCCCN1CCOCC1.
What is the InChIKey of 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one?
The InChIKey is VVZWXCGCRDEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-20(26-31-16-8-13-27-14-17-30-18-15-27)19-23-24(21-9-4-2-5-10-21)28(25(23)29)22-11-6-3-7-12-22/h2-7,9-12,19,24H,8,13-18H2,1H3.
What are the key properties of 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one?
3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one has a molecular weight of 419.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 173391050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).