2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

C26H24N2O3 — CID 10740408

IUPAC2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2cc(OC)ccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-20-22(15-18-11-7-8-12-21(18)17-9-5-4-6-10-17)28-14-13-19(31-2)16-23(28)24(20)25(29)26(27)30/h4-14,16H,3,15H2,1-2H3,(H2,27,30)
InChIKeyFWZHSYRWKGGMLD-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (PubChem CID 10740408) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
PubChem CID10740408
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2cc(OC)ccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-20-22(15-18-11-7-8-12-21(18)17-9-5-4-6-10-17)28-14-13-19(31-2)16-23(28)24(20)25(29)26(27)30/h4-14,16H,3,15H2,1-2H3,(H2,27,30)
InChIKeyFWZHSYRWKGGMLD-UHFFFAOYSA-N
XLogP4.44
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (CID 10740408) is 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2cc(OC)ccn2c1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The InChIKey is FWZHSYRWKGGMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-20-22(15-18-11-7-8-12-21(18)17-9-5-4-6-10-17)28-14-13-19(31-2)16-23(28)24(20)25(29)26(27)30/h4-14,16H,3,15H2,1-2H3,(H2,27,30).
What are the key properties of 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide has a molecular weight of 412.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 10740408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).