N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide

C20H22N2O2 — CID 71456916

IUPACN-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide
SMILESCCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C)c1
InChIInChI=1S/C20H22N2O2/c1-3-21(11-12-23)20(24)18-14-17-9-4-5-10-22(17)19(18)16-8-6-7-15(2)13-16/h4-10,13-14,23H,3,11-12H2,1-2H3
InChIKeyZRNLHFNNDAUNMS-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.37
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide (PubChem CID 71456916) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide
PubChem CID71456916
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide
SMILESCCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C)c1
InChIInChI=1S/C20H22N2O2/c1-3-21(11-12-23)20(24)18-14-17-9-4-5-10-22(17)19(18)16-8-6-7-15(2)13-16/h4-10,13-14,23H,3,11-12H2,1-2H3
InChIKeyZRNLHFNNDAUNMS-UHFFFAOYSA-N
XLogP3.37
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide (CID 71456916) is N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide is CCN(CCO)C(=O)c1cc2ccccn2c1-c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide?
The InChIKey is ZRNLHFNNDAUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-21(11-12-23)20(24)18-14-17-9-4-5-10-22(17)19(18)16-8-6-7-15(2)13-16/h4-10,13-14,23H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-(3-methylphenyl)indolizine-2-carboxamide is sourced from PubChem (CID 71456916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).