N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H19N3O2 — CID 555109

IUPACN-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(C=NNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-7-9-15(10-8-14)12-20-21-19(24)16-11-18(23)22(13-16)17-5-3-2-4-6-17/h2-10,12,16H,11,13H2,1H3,(H,21,24)
InChIKeyJCQBTLMCWFPJHB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.50
Rot. Bonds4

About N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 555109) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID555109
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(C=NNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-7-9-15(10-8-14)12-20-21-19(24)16-11-18(23)22(13-16)17-5-3-2-4-6-17/h2-10,12,16H,11,13H2,1H3,(H,21,24)
InChIKeyJCQBTLMCWFPJHB-UHFFFAOYSA-N
XLogP2.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159471
(3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7299635
(3R)-N-[(Z)-benzylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159429
(3R)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40529880
(3S)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126279701
5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
CID 2883253
(3S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136732448
N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 5466613
(3R)-N-[(4-bromophenyl)methylideneamino]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1043471
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 555109) is N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1ccc(C=NNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JCQBTLMCWFPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-7-9-15(10-8-14)12-20-21-19(24)16-11-18(23)22(13-16)17-5-3-2-4-6-17/h2-10,12,16H,11,13H2,1H3,(H,21,24).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 555109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).