N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide

C26H24N2O3 — CID 25108233

IUPACN-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C26H24N2O3/c1-3-28(17-18-10-6-4-7-11-18)26(30)25(29)23-21-16-20(31-2)14-15-22(21)27-24(23)19-12-8-5-9-13-19/h4-16,27H,3,17H2,1-2H3
InChIKeyMJGKUYZSYCVYAQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.07
Rot. Bonds7

About N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide

N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 25108233) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID25108233
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C26H24N2O3/c1-3-28(17-18-10-6-4-7-11-18)26(30)25(29)23-21-16-20(31-2)14-15-22(21)27-24(23)19-12-8-5-9-13-19/h4-16,27H,3,17H2,1-2H3
InChIKeyMJGKUYZSYCVYAQ-UHFFFAOYSA-N
XLogP5.07
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide (CID 25108233) is N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(OC)cc12.
What is the InChIKey of N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is MJGKUYZSYCVYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-28(17-18-10-6-4-7-11-18)26(30)25(29)23-21-16-20(31-2)14-15-22(21)27-24(23)19-12-8-5-9-13-19/h4-16,27H,3,17H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide?
N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 412.49 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 25108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).