2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide

C20H21N3O2 — CID 59074957

IUPAC2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
SMILESCCNc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C20H21N3O2/c1-3-22-15-10-7-11-23-16(12-14-8-5-4-6-9-14)13(2)17(18(15)23)19(24)20(21)25/h4-11,22H,3,12H2,1-2H3,(H2,21,25)
InChIKeyMGGVCXJGOUNJPF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.94
Rot. Bonds6

About 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide

2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide (PubChem CID 59074957) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
PubChem CID59074957
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
SMILESCCNc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C20H21N3O2/c1-3-22-15-10-7-11-23-16(12-14-8-5-4-6-9-14)13(2)17(18(15)23)19(24)20(21)25/h4-11,22H,3,12H2,1-2H3,(H2,21,25)
InChIKeyMGGVCXJGOUNJPF-UHFFFAOYSA-N
XLogP2.94
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
CID 139768573
2-(6-benzyl-3,7-dimethyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 22449258
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-8-yl)oxybutanoic acid
CID 20592756
2-[2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592731
2-(2,7-dibenzyl-6-methyl-5-oxamoylpyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid
CID 70161076
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 18771269
2-(3,6-dibenzyl-7-ethyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 22449253
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-7-yl)oxybutanoic acid
CID 10740206
2-(6,7-dibenzyl-3-methyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 10139239

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide (CID 59074957) is 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide is CCNc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12.
What is the InChIKey of 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
The InChIKey is MGGVCXJGOUNJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-22-15-10-7-11-23-16(12-14-8-5-4-6-9-14)13(2)17(18(15)23)19(24)20(21)25/h4-11,22H,3,12H2,1-2H3,(H2,21,25).
What are the key properties of 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 59074957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).