8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide

C20H27ClN2O3 — CID 118861259

IUPAC8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
SMILESCOCCc1cc(C(=O)NC[C@]2(O)CCC[C@H](C)C2)c2c(Cl)cccn12
InChIInChI=1S/C20H27ClN2O3/c1-14-5-3-8-20(25,12-14)13-22-19(24)16-11-15(7-10-26-2)23-9-4-6-17(21)18(16)23/h4,6,9,11,14,25H,3,5,7-8,10,12-13H2,1-2H3,(H,22,24)/t14-,20-/m0/s1
InChIKeyLPSSMQKBYHGFPF-XOBRGWDASA-N
MW378.90 g/mol
LogP3.45
Rot. Bonds6

About 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide

8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide (PubChem CID 118861259) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
PubChem CID118861259
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
SMILESCOCCc1cc(C(=O)NC[C@]2(O)CCC[C@H](C)C2)c2c(Cl)cccn12
InChIInChI=1S/C20H27ClN2O3/c1-14-5-3-8-20(25,12-14)13-22-19(24)16-11-15(7-10-26-2)23-9-4-6-17(21)18(16)23/h4,6,9,11,14,25H,3,5,7-8,10,12-13H2,1-2H3,(H,22,24)/t14-,20-/m0/s1
InChIKeyLPSSMQKBYHGFPF-XOBRGWDASA-N
XLogP3.45
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide (CID 118861259) is 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide is COCCc1cc(C(=O)NC[C@]2(O)CCC[C@H](C)C2)c2c(Cl)cccn12.
What is the InChIKey of 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The InChIKey is LPSSMQKBYHGFPF-XOBRGWDASA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-14-5-3-8-20(25,12-14)13-22-19(24)16-11-15(7-10-26-2)23-9-4-6-17(21)18(16)23/h4,6,9,11,14,25H,3,5,7-8,10,12-13H2,1-2H3,(H,22,24)/t14-,20-/m0/s1.
What are the key properties of 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide is sourced from PubChem (CID 118861259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).