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

C20H21N3O3 — CID 139768573

IUPAC2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
SMILESCOCNc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C20H21N3O3/c1-13-16(11-14-7-4-3-5-8-14)23-10-6-9-15(22-12-26-2)18(23)17(13)19(24)20(21)25/h3-10,22H,11-12H2,1-2H3,(H2,21,25)
InChIKeyYNLDXDMPXZUOHZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.52
Rot. Bonds7

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

2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide (PubChem CID 139768573) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
PubChem CID139768573
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
SMILESCOCNc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C20H21N3O3/c1-13-16(11-14-7-4-3-5-8-14)23-10-6-9-15(22-12-26-2)18(23)17(13)19(24)20(21)25/h3-10,22H,11-12H2,1-2H3,(H2,21,25)
InChIKeyYNLDXDMPXZUOHZ-UHFFFAOYSA-N
XLogP2.52
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
CID 59074957
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-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 18771269
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
methyl 2-[3-(1-adamantylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetate
CID 10550987
methyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982755
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide (CID 139768573) is 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide is COCNc1cccn2c(Cc3ccccc3)c(C)c(C(=O)C(N)=O)c12.
What is the InChIKey of 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
The InChIKey is YNLDXDMPXZUOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-16(11-14-7-4-3-5-8-14)23-10-6-9-15(22-12-26-2)18(23)17(13)19(24)20(21)25/h3-10,22H,11-12H2,1-2H3,(H2,21,25).
What are the key properties of 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide?
2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide has a molecular weight of 351.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-8-(methoxymethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139768573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).