N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide

C24H28N4O3 — CID 162662893

IUPACN-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
SMILESCN(C)c1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc1
InChIInChI=1S/C24H28N4O3/c1-27(2)19-6-3-17(4-7-19)15-21-20-16-18(5-8-22(20)26-24(21)30)25-23(29)9-10-28-11-13-31-14-12-28/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)(H,26,30)/b21-15+
InChIKeyLATIEUULELUCDJ-RCCKNPSSSA-N
MW420.51 g/mol
LogP2.91
Rot. Bonds6

About N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide

N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide (PubChem CID 162662893) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
PubChem CID162662893
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide
SMILESCN(C)c1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc1
InChIInChI=1S/C24H28N4O3/c1-27(2)19-6-3-17(4-7-19)15-21-20-16-18(5-8-22(20)26-24(21)30)25-23(29)9-10-28-11-13-31-14-12-28/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)(H,26,30)/b21-15+
InChIKeyLATIEUULELUCDJ-RCCKNPSSSA-N
XLogP2.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide (CID 162662893) is N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide is CN(C)c1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)CCN4CCOCC4)cc32)cc1.
What is the InChIKey of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide?
The InChIKey is LATIEUULELUCDJ-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-27(2)19-6-3-17(4-7-19)15-21-20-16-18(5-8-22(20)26-24(21)30)25-23(29)9-10-28-11-13-31-14-12-28/h3-8,15-16H,9-14H2,1-2H3,(H,25,29)(H,26,30)/b21-15+.
What are the key properties of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide?
N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 420.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 162662893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).