2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide

C21H23N3O2 — CID 110743293

IUPAC2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
SMILESCN1CCOC(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C21H23N3O2/c1-24-10-11-26-20(14-24)15-6-8-17(9-7-15)23-21(25)12-16-13-22-19-5-3-2-4-18(16)19/h2-9,13,20,22H,10-12,14H2,1H3,(H,23,25)
InChIKeyILNXMWWOQKIOHS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.35
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide

2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide (PubChem CID 110743293) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
PubChem CID110743293
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide
SMILESCN1CCOC(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1
InChIInChI=1S/C21H23N3O2/c1-24-10-11-26-20(14-24)15-6-8-17(9-7-15)23-21(25)12-16-13-22-19-5-3-2-4-18(16)19/h2-9,13,20,22H,10-12,14H2,1H3,(H,23,25)
InChIKeyILNXMWWOQKIOHS-UHFFFAOYSA-N
XLogP3.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide (CID 110743293) is 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide is CN1CCOC(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide?
The InChIKey is ILNXMWWOQKIOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-10-11-26-20(14-24)15-6-8-17(9-7-15)23-21(25)12-16-13-22-19-5-3-2-4-18(16)19/h2-9,13,20,22H,10-12,14H2,1H3,(H,23,25).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide?
2-(1H-indol-3-yl)-N-[4-(4-methylmorpholin-2-yl)phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.35, 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-(4-methylmorpholin-2-yl)phenyl]acetamide is sourced from PubChem (CID 110743293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).