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

C21H25N3O2 — CID 4215477

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-14-17-4-2-3-5-20(17)24(16)15-21(25)22-18-6-8-19(9-7-18)23-10-12-26-13-11-23/h2-9,16H,10-15H2,1H3,(H,22,25)
InChIKeyDFOAXPSZYGFNQX-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.91
Rot. Bonds4

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

2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4215477) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4215477
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-14-17-4-2-3-5-20(17)24(16)15-21(25)22-18-6-8-19(9-7-18)23-10-12-26-13-11-23/h2-9,16H,10-15H2,1H3,(H,22,25)
InChIKeyDFOAXPSZYGFNQX-UHFFFAOYSA-N
XLogP2.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 4215477) is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide is CC1Cc2ccccc2N1CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DFOAXPSZYGFNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-14-17-4-2-3-5-20(17)24(16)15-21(25)22-18-6-8-19(9-7-18)23-10-12-26-13-11-23/h2-9,16H,10-15H2,1H3,(H,22,25).
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4215477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).