2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

C28H26N2O4 — CID 20644949

IUPAC2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C28H26N2O4/c1-3-21-23(16-20-12-7-8-13-22(20)19-10-5-4-6-11-19)30-15-9-14-24(34-17-18(2)31)26(30)25(21)27(32)28(29)33/h4-15H,3,16-17H2,1-2H3,(H2,29,33)
InChIKeySDDRDZUPYOUOOW-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.40
Rot. Bonds9

About 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (PubChem CID 20644949) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
PubChem CID20644949
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C28H26N2O4/c1-3-21-23(16-20-12-7-8-13-22(20)19-10-5-4-6-11-19)30-15-9-14-24(34-17-18(2)31)26(30)25(21)27(32)28(29)33/h4-15H,3,16-17H2,1-2H3,(H2,29,33)
InChIKeySDDRDZUPYOUOOW-UHFFFAOYSA-N
XLogP4.40
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (CID 20644949) is 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccn2c1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The InChIKey is SDDRDZUPYOUOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-3-21-23(16-20-12-7-8-13-22(20)19-10-5-4-6-11-19)30-15-9-14-24(34-17-18(2)31)26(30)25(21)27(32)28(29)33/h4-15H,3,16-17H2,1-2H3,(H2,29,33).
What are the key properties of 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide has a molecular weight of 454.53 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-8-(2-oxopropoxy)-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 20644949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).