N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide

C19H18N2O3 — CID 67697609

IUPACN-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(=Cc2cccc(Oc3ccccc3)c2)C1=O
InChIInChI=1S/C19H18N2O3/c1-20-19(23)21-11-10-15(18(21)22)12-14-6-5-9-17(13-14)24-16-7-3-2-4-8-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyJNFGENYGOAXCHG-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.43
Rot. Bonds3

About N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide

N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide (PubChem CID 67697609) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide
PubChem CID67697609
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(=Cc2cccc(Oc3ccccc3)c2)C1=O
InChIInChI=1S/C19H18N2O3/c1-20-19(23)21-11-10-15(18(21)22)12-14-6-5-9-17(13-14)24-16-7-3-2-4-8-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)
InChIKeyJNFGENYGOAXCHG-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide (CID 67697609) is N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide is CNC(=O)N1CCC(=Cc2cccc(Oc3ccccc3)c2)C1=O.
What is the InChIKey of N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide?
The InChIKey is JNFGENYGOAXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20-19(23)21-11-10-15(18(21)22)12-14-6-5-9-17(13-14)24-16-7-3-2-4-8-16/h2-9,12-13H,10-11H2,1H3,(H,20,23).
What are the key properties of N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide?
N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-3-[(3-phenoxyphenyl)methylidene]pyrrolidine-1-carboxamide is sourced from PubChem (CID 67697609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).