(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide

C25H23N3O3 — CID 7332724

IUPAC(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
SMILESO=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)NN=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H23N3O3/c29-24-23(22(16-26-24)20-11-5-2-6-12-20)25(30)28-27-15-19-10-7-13-21(14-19)31-17-18-8-3-1-4-9-18/h1-15,22-23H,16-17H2,(H,26,29)(H,28,30)/t22-,23-/m0/s1
InChIKeyBZSALQJMFSEJEN-GOTSBHOMSA-N
MW413.48 g/mol
LogP3.25
Rot. Bonds7

About (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide

(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide (PubChem CID 7332724) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
PubChem CID7332724
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
SMILESO=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)NN=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H23N3O3/c29-24-23(22(16-26-24)20-11-5-2-6-12-20)25(30)28-27-15-19-10-7-13-21(14-19)31-17-18-8-3-1-4-9-18/h1-15,22-23H,16-17H2,(H,26,29)(H,28,30)/t22-,23-/m0/s1
InChIKeyBZSALQJMFSEJEN-GOTSBHOMSA-N
XLogP3.25
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
[3-[(E)-[[(3S,4S)-2-oxo-4-phenylpyrrolidine-3-carbonyl]hydrazinylidene]methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 51708680
[3-[[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4059374
(3S,4R)-N-[(3,4-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 1224904
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
(3R,4R)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135677756
methyl 4-[[[(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbonyl]hydrazinylidene]methyl]benzoate
CID 7462860
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6159848
(3R,4R)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7462880
(3R,4S)-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 136835326

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide (CID 7332724) is (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide is O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)NN=Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide?
The InChIKey is BZSALQJMFSEJEN-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24-23(22(16-26-24)20-11-5-2-6-12-20)25(30)28-27-15-19-10-7-13-21(14-19)31-17-18-8-3-1-4-9-18/h1-15,22-23H,16-17H2,(H,26,29)(H,28,30)/t22-,23-/m0/s1.
What are the key properties of (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide?
(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7332724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).