2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide

C23H27N3O5 — CID 158365635

IUPAC2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide
SMILESCCC1(C)C(C(=O)C(N)=O)c2cc(OC)ccc2N1Cc1ccccc1.NC(=O)C=O
InChIInChI=1S/C21H24N2O3.C2H3NO2/c1-4-21(2)18(19(24)20(22)25)16-12-15(26-3)10-11-17(16)23(21)13-14-8-6-5-7-9-14;3-2(5)1-4/h5-12,18H,4,13H2,1-3H3,(H2,22,25);1H,(H2,3,5)
InChIKeyGTZLVNOKNBGRLG-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.69
Rot. Bonds7

About 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide

2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide (PubChem CID 158365635) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide
PubChem CID158365635
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide
SMILESCCC1(C)C(C(=O)C(N)=O)c2cc(OC)ccc2N1Cc1ccccc1.NC(=O)C=O
InChIInChI=1S/C21H24N2O3.C2H3NO2/c1-4-21(2)18(19(24)20(22)25)16-12-15(26-3)10-11-17(16)23(21)13-14-8-6-5-7-9-14;3-2(5)1-4/h5-12,18H,4,13H2,1-3H3,(H2,22,25);1H,(H2,3,5)
InChIKeyGTZLVNOKNBGRLG-UHFFFAOYSA-N
XLogP1.69
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide?
The IUPAC name of 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide (CID 158365635) is 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide.
What is the SMILES notation for 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide?
The canonical SMILES for 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide is CCC1(C)C(C(=O)C(N)=O)c2cc(OC)ccc2N1Cc1ccccc1.NC(=O)C=O.
What is the InChIKey of 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide?
The InChIKey is GTZLVNOKNBGRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.C2H3NO2/c1-4-21(2)18(19(24)20(22)25)16-12-15(26-3)10-11-17(16)23(21)13-14-8-6-5-7-9-14;3-2(5)1-4/h5-12,18H,4,13H2,1-3H3,(H2,22,25);1H,(H2,3,5).
What are the key properties of 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide?
2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide has a molecular weight of 425.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethyl-5-methoxy-2-methyl-3H-indol-3-yl)-2-oxoacetamide;2-oxoacetamide is sourced from PubChem (CID 158365635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).