[4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate

C21H22N2O3 — CID 46866439

IUPAC[4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H22N2O3/c24-21(13-17-14-22-20-4-2-1-3-19(17)20)26-18-7-5-16(6-8-18)15-23-9-11-25-12-10-23/h1-8,14,22H,9-13,15H2
InChIKeyGYXKVZAQJCFDIR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.15
Rot. Bonds5

About [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate

[4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate (PubChem CID 46866439) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate
PubChem CID46866439
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H22N2O3/c24-21(13-17-14-22-20-4-2-1-3-19(17)20)26-18-7-5-16(6-8-18)15-23-9-11-25-12-10-23/h1-8,14,22H,9-13,15H2
InChIKeyGYXKVZAQJCFDIR-UHFFFAOYSA-N
XLogP3.15
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate (CID 46866439) is [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)Oc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is GYXKVZAQJCFDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-21(13-17-14-22-20-4-2-1-3-19(17)20)26-18-7-5-16(6-8-18)15-23-9-11-25-12-10-23/h1-8,14,22H,9-13,15H2.
What are the key properties of [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate?
[4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 350.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)phenyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 46866439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).