8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide

C21H27ClN2O2 — CID 118693067

IUPAC8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide
SMILESC[C@@H]1CCC[C@](O)(CNC(=O)c2cc(C3CCC3)n3cccc(Cl)c23)C1
InChIInChI=1S/C21H27ClN2O2/c1-14-5-3-9-21(26,12-14)13-23-20(25)16-11-18(15-6-2-7-15)24-10-4-8-17(22)19(16)24/h4,8,10-11,14-15,26H,2-3,5-7,9,12-13H2,1H3,(H,23,25)/t14-,21-/m1/s1
InChIKeyVUCOPBIKOAFONU-SPLOXXLWSA-N
MW374.91 g/mol
LogP4.53
Rot. Bonds4

About 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide

8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide (PubChem CID 118693067) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide
PubChem CID118693067
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide
SMILESC[C@@H]1CCC[C@](O)(CNC(=O)c2cc(C3CCC3)n3cccc(Cl)c23)C1
InChIInChI=1S/C21H27ClN2O2/c1-14-5-3-9-21(26,12-14)13-23-20(25)16-11-18(15-6-2-7-15)24-10-4-8-17(22)19(16)24/h4,8,10-11,14-15,26H,2-3,5-7,9,12-13H2,1H3,(H,23,25)/t14-,21-/m1/s1
InChIKeyVUCOPBIKOAFONU-SPLOXXLWSA-N
XLogP4.53
TPSA53.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide with MolForge

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Related Compounds

8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
CID 118861259
8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 118693097
8-chloro-N-[[1-hydroxy-3-(2-methylbut-3-en-2-yl)cyclohexyl]methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 167131689
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003
1-[[[(8-chloro-3-cyclobutylindolizin-1-yl)-hydroxymethyl]amino]methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 145010905
8-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
CID 118693014
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376
5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 65118505
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124351
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide?
The IUPAC name of 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide (CID 118693067) is 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide is C[C@@H]1CCC[C@](O)(CNC(=O)c2cc(C3CCC3)n3cccc(Cl)c23)C1.
What is the InChIKey of 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide?
The InChIKey is VUCOPBIKOAFONU-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-14-5-3-9-21(26,12-14)13-23-20(25)16-11-18(15-6-2-7-15)24-10-4-8-17(22)19(16)24/h4,8,10-11,14-15,26H,2-3,5-7,9,12-13H2,1H3,(H,23,25)/t14-,21-/m1/s1.
What are the key properties of 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide?
8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide has a molecular weight of 374.91 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide is sourced from PubChem (CID 118693067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).