N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide

C22H25N3O3 — CID 110627232

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)Cc3ccc(N4CCOCC4)cc3)cc21
InChIInChI=1S/C22H25N3O3/c1-16(26)25-9-8-18-4-5-19(15-21(18)25)23-22(27)14-17-2-6-20(7-3-17)24-10-12-28-13-11-24/h2-7,15H,8-14H2,1H3,(H,23,27)
InChIKeyUEMBZFGPYKYYDB-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.61
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 110627232) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
PubChem CID110627232
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)Cc3ccc(N4CCOCC4)cc3)cc21
InChIInChI=1S/C22H25N3O3/c1-16(26)25-9-8-18-4-5-19(15-21(18)25)23-22(27)14-17-2-6-20(7-3-17)24-10-12-28-13-11-24/h2-7,15H,8-14H2,1H3,(H,23,27)
InChIKeyUEMBZFGPYKYYDB-UHFFFAOYSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634411
N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
CID 30490824
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 60592778
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide
CID 50832530
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 110313457
N-(5-acetyl-2-methylphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425585
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612773
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649726

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide (CID 110627232) is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide is CC(=O)N1CCc2ccc(NC(=O)Cc3ccc(N4CCOCC4)cc3)cc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is UEMBZFGPYKYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(26)25-9-8-18-4-5-19(15-21(18)25)23-22(27)14-17-2-6-20(7-3-17)24-10-12-28-13-11-24/h2-7,15H,8-14H2,1H3,(H,23,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110627232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).