N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

C20H22N4O2 — CID 6898306

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-23(2)17-10-8-15(9-11-17)14-21-22-20(26)16-5-3-6-18(13-16)24-12-4-7-19(24)25/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,26)/b21-14+
InChIKeyQDXIUTPUJOXZGN-KGENOOAVSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds5

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 6898306) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID6898306
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-23(2)17-10-8-15(9-11-17)14-21-22-20(26)16-5-3-6-18(13-16)24-12-4-7-19(24)25/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,26)/b21-14+
InChIKeyQDXIUTPUJOXZGN-KGENOOAVSA-N
XLogP2.64
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 6898306) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(C)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is QDXIUTPUJOXZGN-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(2)17-10-8-15(9-11-17)14-21-22-20(26)16-5-3-6-18(13-16)24-12-4-7-19(24)25/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,22,26)/b21-14+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 6898306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).