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

C22H26N4O2 — CID 6894337

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H26N4O2/c1-3-25(4-2)19-12-10-17(11-13-19)16-23-24-22(28)18-7-5-8-20(15-18)26-14-6-9-21(26)27/h5,7-8,10-13,15-16H,3-4,6,9,14H2,1-2H3,(H,24,28)/b23-16+
InChIKeyMBNHWCFAOXTQAQ-XQNSMLJCSA-N
MW378.48 g/mol
LogP3.42
Rot. Bonds7

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

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 6894337) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID6894337
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H26N4O2/c1-3-25(4-2)19-12-10-17(11-13-19)16-23-24-22(28)18-7-5-8-20(15-18)26-14-6-9-21(26)27/h5,7-8,10-13,15-16H,3-4,6,9,14H2,1-2H3,(H,24,28)/b23-16+
InChIKeyMBNHWCFAOXTQAQ-XQNSMLJCSA-N
XLogP3.42
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.42
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-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 6894337) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MBNHWCFAOXTQAQ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-25(4-2)19-12-10-17(11-13-19)16-23-24-22(28)18-7-5-8-20(15-18)26-14-6-9-21(26)27/h5,7-8,10-13,15-16H,3-4,6,9,14H2,1-2H3,(H,24,28)/b23-16+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 6894337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).