N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

C24H25N3O5 — CID 4081384

IUPACN-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOc1ccccc1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C24H25N3O5/c1-31-21-9-5-2-6-17(21)14-25-24(30)23(29)19-15-27(20-8-4-3-7-18(19)20)16-22(28)26-10-12-32-13-11-26/h2-9,15H,10-14,16H2,1H3,(H,25,30)
InChIKeyDHSLOABLSAWSDW-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.01
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 4081384) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID4081384
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOc1ccccc1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C24H25N3O5/c1-31-21-9-5-2-6-17(21)14-25-24(30)23(29)19-15-27(20-8-4-3-7-18(19)20)16-22(28)26-10-12-32-13-11-26/h2-9,15H,10-14,16H2,1H3,(H,25,30)
InChIKeyDHSLOABLSAWSDW-UHFFFAOYSA-N
XLogP2.01
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 4081384) is N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is COc1ccccc1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is DHSLOABLSAWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-31-21-9-5-2-6-17(21)14-25-24(30)23(29)19-15-27(20-8-4-3-7-18(19)20)16-22(28)26-10-12-32-13-11-26/h2-9,15H,10-14,16H2,1H3,(H,25,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 435.48 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 4081384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).