2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide

C23H27ClN2O3 — CID 10835629

IUPAC2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide
SMILESCCc1c(CC(N)=O)c2c(OCC(O)CC)cccn2c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-3-17(27)14-29-21-9-6-10-26-20(12-15-7-5-8-16(24)11-15)18(4-2)19(23(21)26)13-22(25)28/h5-11,17,27H,3-4,12-14H2,1-2H3,(H2,25,28)
InChIKeyGHNRIQBWVAOEPL-UHFFFAOYSA-N
MW414.93 g/mol
LogP3.92
Rot. Bonds9

About 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide

2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide (PubChem CID 10835629) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide
PubChem CID10835629
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide
SMILESCCc1c(CC(N)=O)c2c(OCC(O)CC)cccn2c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-3-17(27)14-29-21-9-6-10-26-20(12-15-7-5-8-16(24)11-15)18(4-2)19(23(21)26)13-22(25)28/h5-11,17,27H,3-4,12-14H2,1-2H3,(H2,25,28)
InChIKeyGHNRIQBWVAOEPL-UHFFFAOYSA-N
XLogP3.92
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide (CID 10835629) is 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide is CCc1c(CC(N)=O)c2c(OCC(O)CC)cccn2c1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide?
The InChIKey is GHNRIQBWVAOEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-3-17(27)14-29-21-9-6-10-26-20(12-15-7-5-8-16(24)11-15)18(4-2)19(23(21)26)13-22(25)28/h5-11,17,27H,3-4,12-14H2,1-2H3,(H2,25,28).
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide?
2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide has a molecular weight of 414.93 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2-hydroxybutoxy)indolizin-1-yl]acetamide is sourced from PubChem (CID 10835629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).