2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide

C23H28N4O3 — CID 60592778

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)N1CCc2cc(NC(C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc21
InChIInChI=1S/C23H28N4O3/c1-16(24-20-5-8-22-18(15-20)9-10-27(22)17(2)28)23(29)25-19-3-6-21(7-4-19)26-11-13-30-14-12-26/h3-8,15-16,24H,9-14H2,1-2H3,(H,25,29)
InChIKeyLIHYQWHCDCBOEQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.87
Rot. Bonds5

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 60592778) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID60592778
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)N1CCc2cc(NC(C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc21
InChIInChI=1S/C23H28N4O3/c1-16(24-20-5-8-22-18(15-20)9-10-27(22)17(2)28)23(29)25-19-3-6-21(7-4-19)26-11-13-30-14-12-26/h3-8,15-16,24H,9-14H2,1-2H3,(H,25,29)
InChIKeyLIHYQWHCDCBOEQ-UHFFFAOYSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 45355470
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098497
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 25359721

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 60592778) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide is CC(=O)N1CCc2cc(NC(C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is LIHYQWHCDCBOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(24-20-5-8-22-18(15-20)9-10-27(22)17(2)28)23(29)25-19-3-6-21(7-4-19)26-11-13-30-14-12-26/h3-8,15-16,24H,9-14H2,1-2H3,(H,25,29).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 60592778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).