N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide

C31H27N3O2 — CID 151025786

IUPACN-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide
SMILESNC(CN(CC(=O)c1c(-c2ccccc2)cc2ccccn12)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27N3O2/c32-28(24-14-6-2-7-15-24)21-33(31(36)25-16-8-3-9-17-25)22-29(35)30-27(23-12-4-1-5-13-23)20-26-18-10-11-19-34(26)30/h1-20,28H,21-22,32H2
InChIKeyLZAHAALTNMCXIE-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.63
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide

N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide (PubChem CID 151025786) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide
PubChem CID151025786
Molecular FormulaC31H27N3O2
Molecular Weight473.58 g/mol
Exact Mass473.21
IUPAC NameN-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide
SMILESNC(CN(CC(=O)c1c(-c2ccccc2)cc2ccccn12)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27N3O2/c32-28(24-14-6-2-7-15-24)21-33(31(36)25-16-8-3-9-17-25)22-29(35)30-27(23-12-4-1-5-13-23)20-26-18-10-11-19-34(26)30/h1-20,28H,21-22,32H2
InChIKeyLZAHAALTNMCXIE-UHFFFAOYSA-N
XLogP5.63
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2371420
(2-phenylindolizin-3-yl)methanamine
CID 45496730
ethene;3-(2-phenylindolizin-3-yl)buta-1,3-dien-2-amine
CID 143676529
3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoic acid
CID 68828260
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 2359773
N-[4-(1-hydroxyethyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106871
N'-acetyl-2-oxo-N'-phenyl-2-(2-phenylindolizin-3-yl)acetohydrazide
CID 123824806
[3,5-dichloro-4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 13029587
3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]propyl 3,4-dichlorobenzoate
CID 2349365
3-(2-nitro-1-phenylethyl)-2-phenylindolizine
CID 3340168
3-(2-phenylindolizin-3-yl)propanoate
CID 4608346
1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
CID 54774341

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide (CID 151025786) is N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide is NC(CN(CC(=O)c1c(-c2ccccc2)cc2ccccn12)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide?
The InChIKey is LZAHAALTNMCXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O2/c32-28(24-14-6-2-7-15-24)21-33(31(36)25-16-8-3-9-17-25)22-29(35)30-27(23-12-4-1-5-13-23)20-26-18-10-11-19-34(26)30/h1-20,28H,21-22,32H2.
What are the key properties of N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide?
N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide has a molecular weight of 473.58 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-N-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]benzamide is sourced from PubChem (CID 151025786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).