2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

C21H21N3O5 — CID 121240404

IUPAC2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCC(=O)N4)cccc21
InChIInChI=1S/C21H21N3O5/c1-27-10-9-24-8-7-15-17(24)3-2-4-18(15)28-12-20(25)22-14-5-6-16-19(11-14)29-13-21(26)23-16/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOSMMSGYYDRYLSF-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.64
Rot. Bonds7

About 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (PubChem CID 121240404) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
PubChem CID121240404
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCC(=O)N4)cccc21
InChIInChI=1S/C21H21N3O5/c1-27-10-9-24-8-7-15-17(24)3-2-4-18(15)28-12-20(25)22-14-5-6-16-19(11-14)29-13-21(26)23-16/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOSMMSGYYDRYLSF-UHFFFAOYSA-N
XLogP2.64
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
CID 121240182
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
CID 121238954
N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239523
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide
CID 51153526
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239933
methyl 1-[2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]ethyl]indole-3-carboxylate
CID 31020646
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (CID 121240404) is 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is COCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCC(=O)N4)cccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The InChIKey is OSMMSGYYDRYLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-27-10-9-24-8-7-15-17(24)3-2-4-18(15)28-12-20(25)22-14-5-6-16-19(11-14)29-13-21(26)23-16/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is sourced from PubChem (CID 121240404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).