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

C26H24N2O3 — CID 24951342

IUPAC2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-19-21(16-18-12-7-8-13-20(18)17-10-5-4-6-11-17)28-15-9-14-22(31-2)24(28)23(19)25(29)26(27)30/h4-15H,3,16H2,1-2H3,(H2,27,30)
InChIKeyBZPQHOAILMRKES-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.44
Rot. Bonds7

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

2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (PubChem CID 24951342) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
PubChem CID24951342
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-3-19-21(16-18-12-7-8-13-20(18)17-10-5-4-6-11-17)28-15-9-14-22(31-2)24(28)23(19)25(29)26(27)30/h4-15H,3,16H2,1-2H3,(H2,27,30)
InChIKeyBZPQHOAILMRKES-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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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Unii-1U7V49ntqg
CID 10091392
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280148
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280154
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280158
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280172
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(6-methyl-2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280185
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(6-methoxy-2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280186
Indoxam
CID 9911907
2-[2-Ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid
CID 10389981
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506251

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (CID 24951342) is 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is CCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The InChIKey is BZPQHOAILMRKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-19-21(16-18-12-7-8-13-20(18)17-10-5-4-6-11-17)28-15-9-14-22(31-2)24(28)23(19)25(29)26(27)30/h4-15H,3,16H2,1-2H3,(H2,27,30).
What are the key properties of 2-[2-ethyl-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
2-[2-ethyl-8-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-8-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 24951342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).