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

C22H24N4O3 — CID 162654590

IUPACN-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide
SMILESCN(C)c1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)N4CCOCC4)cc32)cc1
InChIInChI=1S/C22H24N4O3/c1-25(2)17-6-3-15(4-7-17)13-19-18-14-16(5-8-20(18)24-21(19)27)23-22(28)26-9-11-29-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)(H,24,27)/b19-13+
InChIKeyKVKBSUBMZOQZOR-CPNJWEJPSA-N
MW392.46 g/mol
LogP3.11
Rot. Bonds3

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

N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide (PubChem CID 162654590) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide
PubChem CID162654590
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide
SMILESCN(C)c1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)N4CCOCC4)cc32)cc1
InChIInChI=1S/C22H24N4O3/c1-25(2)17-6-3-15(4-7-17)13-19-18-14-16(5-8-20(18)24-21(19)27)23-22(28)26-9-11-29-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)(H,24,27)/b19-13+
InChIKeyKVKBSUBMZOQZOR-CPNJWEJPSA-N
XLogP3.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(4-Morpholinoanilinomethyl)phthalimide
CID 2731384
3-(4-methylanilino)-2-(2-morpholin-4-ylethyl)-3H-isoindol-1-one
CID 9550457
1-[4-(Morpholine-4-carbonyl)phenyl]-3-phenylurea
CID 839616
1-[4-(Morpholin-4-ylcarbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1296963
1-(4-Fluorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 17298177
1-(3-(Morpholine-4-carbonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24945519
1-(4-Fluoro-3-(morpholine-4-carbonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24945520
1-(4-(Morpholine-4-carbonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24945521
4-(2,3-dihydroindol-1-yl)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 71657339
5-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)-2-morpholin-4-ylbenzamide
CID 1080132
1-(3-Acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 1294784
3-(dimethylamino)-N-(4-morpholin-4-ylphenyl)benzamide
CID 2092690

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide (CID 162654590) is N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide is CN(C)c1ccc(/C=C2/C(=O)Nc3ccc(NC(=O)N4CCOCC4)cc32)cc1.
What is the InChIKey of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide?
The InChIKey is KVKBSUBMZOQZOR-CPNJWEJPSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25(2)17-6-3-15(4-7-17)13-19-18-14-16(5-8-20(18)24-21(19)27)23-22(28)26-9-11-29-12-10-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)(H,24,27)/b19-13+.
What are the key properties of N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide?
N-[(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-oxo-1H-indol-5-yl]morpholine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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]morpholine-4-carboxamide is sourced from PubChem (CID 162654590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).