2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide

C30H26N2O3 — CID 10576018

IUPAC2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCc3ccccc3)cccn2c1Cc1ccc2ccccc2c1
InChIInChI=1S/C30H26N2O3/c1-2-24-25(18-21-14-15-22-11-6-7-12-23(22)17-21)32-16-8-13-26(28(32)27(24)29(33)30(31)34)35-19-20-9-4-3-5-10-20/h3-17H,2,18-19H2,1H3,(H2,31,34)
InChIKeyIDETUUKWLQPGSU-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.49
Rot. Bonds8

About 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide

2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide (PubChem CID 10576018) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
PubChem CID10576018
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCc3ccccc3)cccn2c1Cc1ccc2ccccc2c1
InChIInChI=1S/C30H26N2O3/c1-2-24-25(18-21-14-15-22-11-6-7-12-23(22)17-21)32-16-8-13-26(28(32)27(24)29(33)30(31)34)35-19-20-9-4-3-5-10-20/h3-17H,2,18-19H2,1H3,(H2,31,34)
InChIKeyIDETUUKWLQPGSU-UHFFFAOYSA-N
XLogP5.49
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-benzyl-2-ethyl-1-oxamoylindolizin-8-yl)oxybutanoic acid
CID 20592756
2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2H-tetrazol-5-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 10531659
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615
2-[3-(cyclopentylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
CID 10669989
2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
CID 10766033
2-oxopropyl 2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetate
CID 18771215
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-7-yl)oxybutanoic acid
CID 10740206
2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 18771269
ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
CID 10767818
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592745
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
2-[2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizin-1-yl]acetamide
CID 10624863

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide (CID 10576018) is 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OCc3ccccc3)cccn2c1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide?
The InChIKey is IDETUUKWLQPGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-2-24-25(18-21-14-15-22-11-6-7-12-23(22)17-21)32-16-8-13-26(28(32)27(24)29(33)30(31)34)35-19-20-9-4-3-5-10-20/h3-17H,2,18-19H2,1H3,(H2,31,34).
What are the key properties of 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide?
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide has a molecular weight of 462.55 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 10576018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).