3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

C22H25N3O2 — CID 2810627

IUPAC3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cn(CCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-17-16-25(21-5-3-2-4-20(17)21)11-10-22(26)23-18-6-8-19(9-7-18)24-12-14-27-15-13-24/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyOLRCJSZPZCNILM-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.82
Rot. Bonds5

About 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 2810627) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID2810627
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cn(CCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-17-16-25(21-5-3-2-4-20(17)21)11-10-22(26)23-18-6-8-19(9-7-18)24-12-14-27-15-13-24/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyOLRCJSZPZCNILM-UHFFFAOYSA-N
XLogP3.82
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.82
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 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (CID 2810627) is 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is Cc1cn(CCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12.
What is the InChIKey of 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is OLRCJSZPZCNILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-16-25(21-5-3-2-4-20(17)21)11-10-22(26)23-18-6-8-19(9-7-18)24-12-14-27-15-13-24/h2-9,16H,10-15H2,1H3,(H,23,26).
What are the key properties of 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylindol-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2810627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).