2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide

C32H28N2O3 — CID 10624863

IUPAC2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide
SMILESCCc1c(CC(N)=O)c2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C32H28N2O3/c1-2-24-27(20-29(33)35)30-28(37-21-22-12-5-3-6-13-22)18-11-19-34(30)31(24)32(36)26-17-10-9-16-25(26)23-14-7-4-8-15-23/h3-19H,2,20-21H2,1H3,(H2,33,35)
InChIKeyVCPQIZLHBZJYCW-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.01
Rot. Bonds9

About 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide

2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide (PubChem CID 10624863) has the molecular formula C32H28N2O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide
PubChem CID10624863
Molecular FormulaC32H28N2O3
Molecular Weight488.59 g/mol
Exact Mass488.21
IUPAC Name2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide
SMILESCCc1c(CC(N)=O)c2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C32H28N2O3/c1-2-24-27(20-29(33)35)30-28(37-21-22-12-5-3-6-13-22)18-11-19-34(30)31(24)32(36)26-17-10-9-16-25(26)23-14-7-4-8-15-23/h3-19H,2,20-21H2,1H3,(H2,33,35)
InChIKeyVCPQIZLHBZJYCW-UHFFFAOYSA-N
XLogP6.01
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetate
CID 18771266
ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
CID 10767818
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
diethyl 8-phenylmethoxy-2-sulfanylindolizine-1,3-dicarboxylate
CID 10739702
2-oxopropyl 2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetate
CID 18771215
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615
2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide
CID 54280809
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592745
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
2-[[carboxy(hydroxy)methyl]-[2-[8-(carboxymethoxy)-2-ethyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetyl]amino]-2-hydroxyacetic acid
CID 57001061
2-[2-ethyl-1-(oxaldehydoylamino)-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
CID 54321841

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide?
The IUPAC name of 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide (CID 10624863) is 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide.
What is the SMILES notation for 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide?
The canonical SMILES for 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide is CCc1c(CC(N)=O)c2c(OCc3ccccc3)cccn2c1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide?
The InChIKey is VCPQIZLHBZJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O3/c1-2-24-27(20-29(33)35)30-28(37-21-22-12-5-3-6-13-22)18-11-19-34(30)31(24)32(36)26-17-10-9-16-25(26)23-14-7-4-8-15-23/h3-19H,2,20-21H2,1H3,(H2,33,35).
What are the key properties of 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide?
2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide is sourced from PubChem (CID 10624863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).