8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide

C21H27ClN2O3 — CID 155534002

IUPAC8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)CC1
InChIInChI=1S/C21H27ClN2O3/c1-14-4-7-21(26,8-5-14)13-23-20(25)16-11-18(15-6-10-27-12-15)24-9-2-3-17(22)19(16)24/h2-3,9,11,14-15,26H,4-8,10,12-13H2,1H3,(H,23,25)
InChIKeyXXKLQKSQFMIASW-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.77
Rot. Bonds4

About 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide

8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (PubChem CID 155534002) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
PubChem CID155534002
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)CC1
InChIInChI=1S/C21H27ClN2O3/c1-14-4-7-21(26,8-5-14)13-23-20(25)16-11-18(15-6-10-27-12-15)24-9-2-3-17(22)19(16)24/h2-3,9,11,14-15,26H,4-8,10,12-13H2,1H3,(H,23,25)
InChIKeyXXKLQKSQFMIASW-UHFFFAOYSA-N
XLogP3.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (CID 155534002) is 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is CC1CCC(O)(CNC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)CC1.
What is the InChIKey of 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The InChIKey is XXKLQKSQFMIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-14-4-7-21(26,8-5-14)13-23-20(25)16-11-18(15-6-10-27-12-15)24-9-2-3-17(22)19(16)24/h2-3,9,11,14-15,26H,4-8,10,12-13H2,1H3,(H,23,25).
What are the key properties of 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide has a molecular weight of 390.91 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is sourced from PubChem (CID 155534002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).