2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one

C22H34N2O — CID 70456900

IUPAC2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one
SMILESCC(C)N(CCC1(C2CCCCC2)C=C2C=CC=CN2C1=O)C(C)C
InChIInChI=1S/C22H34N2O/c1-17(2)23(18(3)4)15-13-22(19-10-6-5-7-11-19)16-20-12-8-9-14-24(20)21(22)25/h8-9,12,14,16-19H,5-7,10-11,13,15H2,1-4H3
InChIKeyPXYYBHRJMLIOHZ-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.87
Rot. Bonds6

About 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one

2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one (PubChem CID 70456900) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one.

Molecular Properties

Compound Name2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one
PubChem CID70456900
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one
SMILESCC(C)N(CCC1(C2CCCCC2)C=C2C=CC=CN2C1=O)C(C)C
InChIInChI=1S/C22H34N2O/c1-17(2)23(18(3)4)15-13-22(19-10-6-5-7-11-19)16-20-12-8-9-14-24(20)21(22)25/h8-9,12,14,16-19H,5-7,10-11,13,15H2,1-4H3
InChIKeyPXYYBHRJMLIOHZ-UHFFFAOYSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one?
The IUPAC name of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one (CID 70456900) is 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one.
What is the SMILES notation for 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one?
The canonical SMILES for 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one is CC(C)N(CCC1(C2CCCCC2)C=C2C=CC=CN2C1=O)C(C)C.
What is the InChIKey of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one?
The InChIKey is PXYYBHRJMLIOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-17(2)23(18(3)4)15-13-22(19-10-6-5-7-11-19)16-20-12-8-9-14-24(20)21(22)25/h8-9,12,14,16-19H,5-7,10-11,13,15H2,1-4H3.
What are the key properties of 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one?
2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one has a molecular weight of 342.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[2-[di(propan-2-yl)amino]ethyl]indolizin-3-one is sourced from PubChem (CID 70456900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).