N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide

C16H22N2O2 — CID 137334234

IUPACN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N[C@H]1CCCN2CCC[C@@H]12
InChIInChI=1S/C16H22N2O2/c1-11-10-12(19)6-7-13(11)16(20)17-14-4-2-8-18-9-3-5-15(14)18/h6-7,10,14-15,19H,2-5,8-9H2,1H3,(H,17,20)/t14-,15-/m0/s1
InChIKeyBFARQLUQBOTLND-GJZGRUSLSA-N
MW274.36 g/mol
LogP2.06
Rot. Bonds2

About N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide

N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide (PubChem CID 137334234) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide
PubChem CID137334234
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N[C@H]1CCCN2CCC[C@@H]12
InChIInChI=1S/C16H22N2O2/c1-11-10-12(19)6-7-13(11)16(20)17-14-4-2-8-18-9-3-5-15(14)18/h6-7,10,14-15,19H,2-5,8-9H2,1H3,(H,17,20)/t14-,15-/m0/s1
InChIKeyBFARQLUQBOTLND-GJZGRUSLSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide with MolForge

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Related Compounds

4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
CID 66681471
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CID 103863506
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79795341
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
3-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79464819
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718095
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide (CID 137334234) is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)N[C@H]1CCCN2CCC[C@@H]12.
What is the InChIKey of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide?
The InChIKey is BFARQLUQBOTLND-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-10-12(19)6-7-13(11)16(20)17-14-4-2-8-18-9-3-5-15(14)18/h6-7,10,14-15,19H,2-5,8-9H2,1H3,(H,17,20)/t14-,15-/m0/s1.
What are the key properties of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide?
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 137334234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).