N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide

C20H21N3O2 — CID 174165657

IUPACN-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide
SMILESO=CNCCNCCc1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C20H21N3O2/c24-15-22-11-10-21-9-8-16-13-18-7-4-12-23(18)19(14-16)20(25)17-5-2-1-3-6-17/h1-7,12-15,21H,8-11H2,(H,22,24)
InChIKeyWIZBKLICSJGINS-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.05
Rot. Bonds9

About N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide

N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide (PubChem CID 174165657) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide
PubChem CID174165657
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide
SMILESO=CNCCNCCc1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C20H21N3O2/c24-15-22-11-10-21-9-8-16-13-18-7-4-12-23(18)19(14-16)20(25)17-5-2-1-3-6-17/h1-7,12-15,21H,8-11H2,(H,22,24)
InChIKeyWIZBKLICSJGINS-UHFFFAOYSA-N
XLogP2.05
TPSA62.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzoylindolizine-7-carboxylic acid
CID 171758340
2-[5-(4-fluorobenzoyl)indolizin-7-yl]acetic acid
CID 174164867
[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone
CID 174165654
methane;N-(2-phenylethyl)formamide
CID 143644399
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
CID 165114067
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
4-(2-phenylethylamino)butyl benzoate
CID 70832782
N-(6-phenylhexyl)formamide
CID 25180077
ethanamine;N-(2-phenylethyl)formamide;propane
CID 143077311
methyl 5-(furan-2-carbonyl)indolizine-7-carboxylate
CID 165114034
N-(4-oxobutyl)formamide;2-phenylethanol
CID 175298453

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide?
The IUPAC name of N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide (CID 174165657) is N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide?
The canonical SMILES for N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide is O=CNCCNCCc1cc(C(=O)c2ccccc2)n2cccc2c1.
What is the InChIKey of N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide?
The InChIKey is WIZBKLICSJGINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-15-22-11-10-21-9-8-16-13-18-7-4-12-23(18)19(14-16)20(25)17-5-2-1-3-6-17/h1-7,12-15,21H,8-11H2,(H,22,24).
What are the key properties of N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide?
N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide has a molecular weight of 335.41 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide is sourced from PubChem (CID 174165657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).