2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide

C34H34N4O — CID 157145704

IUPAC2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide
SMILESCCc1c(-c2ccccc2)c(CCN)c2ccccn12.NC(=O)Cc1c(-c2ccccc2)cn2ccccc12
InChIInChI=1S/C18H20N2.C16H14N2O/c1-2-16-18(14-8-4-3-5-9-14)15(11-12-19)17-10-6-7-13-20(16)17;17-16(19)10-13-14(12-6-2-1-3-7-12)11-18-9-5-4-8-15(13)18/h3-10,13H,2,11-12,19H2,1H3;1-9,11H,10H2,(H2,17,19)
InChIKeyAKRHDMYBZXCLBC-UHFFFAOYSA-N
MW514.67 g/mol
LogP6.30
Rot. Bonds7

About 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide

2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide (PubChem CID 157145704) has the molecular formula C34H34N4O and a molecular weight of 514.67 g/mol. Its IUPAC name is 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide
PubChem CID157145704
Molecular FormulaC34H34N4O
Molecular Weight514.67 g/mol
Exact Mass514.27
IUPAC Name2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide
SMILESCCc1c(-c2ccccc2)c(CCN)c2ccccn12.NC(=O)Cc1c(-c2ccccc2)cn2ccccc12
InChIInChI=1S/C18H20N2.C16H14N2O/c1-2-16-18(14-8-4-3-5-9-14)15(11-12-19)17-10-6-7-13-20(16)17;17-16(19)10-13-14(12-6-2-1-3-7-12)11-18-9-5-4-8-15(13)18/h3-10,13H,2,11-12,19H2,1H3;1-9,11H,10H2,(H2,17,19)
InChIKeyAKRHDMYBZXCLBC-UHFFFAOYSA-N
XLogP6.30
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide (CID 157145704) is 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide is CCc1c(-c2ccccc2)c(CCN)c2ccccn12.NC(=O)Cc1c(-c2ccccc2)cn2ccccc12.
What is the InChIKey of 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide?
The InChIKey is AKRHDMYBZXCLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C16H14N2O/c1-2-16-18(14-8-4-3-5-9-14)15(11-12-19)17-10-6-7-13-20(16)17;17-16(19)10-13-14(12-6-2-1-3-7-12)11-18-9-5-4-8-15(13)18/h3-10,13H,2,11-12,19H2,1H3;1-9,11H,10H2,(H2,17,19).
What are the key properties of 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide?
2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide has a molecular weight of 514.67 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-phenylindolizin-1-yl)ethanamine;2-(2-phenylindolizin-1-yl)acetamide is sourced from PubChem (CID 157145704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).