2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide

C20H21N3O2 — CID 2083345

IUPAC2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O2/c24-20(13-15-14-21-19-4-2-1-3-18(15)19)22-16-5-7-17(8-6-16)23-9-11-25-12-10-23/h1-8,14,21H,9-13H2,(H,22,24)
InChIKeyDGAUSJLIVXKJPK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.19
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2083345) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2083345
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O2/c24-20(13-15-14-21-19-4-2-1-3-18(15)19)22-16-5-7-17(8-6-16)23-9-11-25-12-10-23/h1-8,14,21H,9-13H2,(H,22,24)
InChIKeyDGAUSJLIVXKJPK-UHFFFAOYSA-N
XLogP3.19
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 2083345) is 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DGAUSJLIVXKJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(13-15-14-21-19-4-2-1-3-18(15)19)22-16-5-7-17(8-6-16)23-9-11-25-12-10-23/h1-8,14,21H,9-13H2,(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2083345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).