N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide

C23H23N3O5 — CID 2229262

IUPACN-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C23H23N3O5/c1-30-20-9-5-3-7-18(20)24-21(27)15-26-14-17(16-6-2-4-8-19(16)26)22(28)23(29)25-10-12-31-13-11-25/h2-9,14H,10-13,15H2,1H3,(H,24,27)
InChIKeyXLRJENRYLIIMKU-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.33
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide

N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide (PubChem CID 2229262) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide
PubChem CID2229262
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C23H23N3O5/c1-30-20-9-5-3-7-18(20)24-21(27)15-26-14-17(16-6-2-4-8-19(16)26)22(28)23(29)25-10-12-31-13-11-25/h2-9,14H,10-13,15H2,1H3,(H,24,27)
InChIKeyXLRJENRYLIIMKU-UHFFFAOYSA-N
XLogP2.33
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 507819

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide (CID 2229262) is N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide is COc1ccccc1NC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide?
The InChIKey is XLRJENRYLIIMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-30-20-9-5-3-7-18(20)24-21(27)15-26-14-17(16-6-2-4-8-19(16)26)22(28)23(29)25-10-12-31-13-11-25/h2-9,14H,10-13,15H2,1H3,(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide has a molecular weight of 421.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]acetamide is sourced from PubChem (CID 2229262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).