(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H23N3O3 — CID 39869218

IUPAC(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-3-15-4-6-16(7-5-15)13-22-23-21(26)17-12-20(25)24(14-17)18-8-10-19(27-2)11-9-18/h4-11,13,17H,3,12,14H2,1-2H3,(H,23,26)/b22-13+/t17-/m1/s1
InChIKeyHWDCCBUXCADILZ-NEIHUHTASA-N
MW365.43 g/mol
LogP2.76
Rot. Bonds6

About (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39869218) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39869218
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-3-15-4-6-16(7-5-15)13-22-23-21(26)17-12-20(25)24(14-17)18-8-10-19(27-2)11-9-18/h4-11,13,17H,3,12,14H2,1-2H3,(H,23,26)/b22-13+/t17-/m1/s1
InChIKeyHWDCCBUXCADILZ-NEIHUHTASA-N
XLogP2.76
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.76
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'}

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Related Compounds

1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 2883750
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6897458
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 2856268
(3S)-1-(4-methoxyphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126181938
1-(4-methoxyphenyl)-5-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 4052001
(3R)-1-(4-bromophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 39869217
(3S)-N-[(E)-anthracen-9-ylmethylideneamino]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126161540
(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136794190
(3R)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40529880
(3S)-1-(4-bromophenyl)-N-[(Z)-(4-butoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126164758
(3R)-N-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126264910
(3R)-N-[(E)-(2-chlorophenyl)methylideneamino]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126169970

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 39869218) is (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HWDCCBUXCADILZ-NEIHUHTASA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-15-4-6-16(7-5-15)13-22-23-21(26)17-12-20(25)24(14-17)18-8-10-19(27-2)11-9-18/h4-11,13,17H,3,12,14H2,1-2H3,(H,23,26)/b22-13+/t17-/m1/s1.
What are the key properties of (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(E)-(4-ethylphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39869218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).