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

C21H23N3O2 — CID 2557659

IUPAC3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O2/c25-21(10-12-24-11-9-17-3-1-2-4-20(17)24)22-18-5-7-19(8-6-18)23-13-15-26-16-14-23/h1-9,11H,10,12-16H2,(H,22,25)
InChIKeyOQBUJZIRZXUAAQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.51
Rot. Bonds5

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

3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 2557659) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID2557659
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O2/c25-21(10-12-24-11-9-17-3-1-2-4-20(17)24)22-18-5-7-19(8-6-18)23-13-15-26-16-14-23/h1-9,11H,10,12-16H2,(H,22,25)
InChIKeyOQBUJZIRZXUAAQ-UHFFFAOYSA-N
XLogP3.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.51
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-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide (CID 2557659) is 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide is O=C(CCn1ccc2ccccc21)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is OQBUJZIRZXUAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(10-12-24-11-9-17-3-1-2-4-20(17)24)22-18-5-7-19(8-6-18)23-13-15-26-16-14-23/h1-9,11H,10,12-16H2,(H,22,25).
What are the key properties of 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide?
3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2557659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).