N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

C21H23N3O2 — CID 11992199

IUPACN-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESC/C(=N/NC(=O)C1C(=O)NCC1c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-13-9-10-17(11-14(13)2)15(3)23-24-21(26)19-18(12-22-20(19)25)16-7-5-4-6-8-16/h4-11,18-19H,12H2,1-3H3,(H,22,25)(H,24,26)/b23-15-
InChIKeyAVISZMYKNNVVCS-HAHDFKILSA-N
MW349.43 g/mol
LogP2.67
Rot. Bonds4

About N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 11992199) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID11992199
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESC/C(=N/NC(=O)C1C(=O)NCC1c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-13-9-10-17(11-14(13)2)15(3)23-24-21(26)19-18(12-22-20(19)25)16-7-5-4-6-8-16/h4-11,18-19H,12H2,1-3H3,(H,22,25)(H,24,26)/b23-15-
InChIKeyAVISZMYKNNVVCS-HAHDFKILSA-N
XLogP2.67
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11961320
(3S,4R)-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 1015447
cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40555202
N-[1-(4-bromothiophen-2-yl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 73172051
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992394
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992296
N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11992203
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822739
methyl 4-[[[(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbonyl]hydrazinylidene]methyl]benzoate
CID 7462860
(3R,4S)-N-[(E)-(2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135851361
(3S,4R)-2-oxo-4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 98233687

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 11992199) is N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is C/C(=N/NC(=O)C1C(=O)NCC1c1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is AVISZMYKNNVVCS-HAHDFKILSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-9-10-17(11-14(13)2)15(3)23-24-21(26)19-18(12-22-20(19)25)16-7-5-4-6-8-16/h4-11,18-19H,12H2,1-3H3,(H,22,25)(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 11992199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).