N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide

C20H23NO2 — CID 134706743

IUPACN-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)C1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C20H23NO2/c1-21(16-9-14-11-17(22)12-15(14)10-16)20(23)19-8-4-6-13-5-2-3-7-18(13)19/h2-8,14-17,22H,9-12H2,1H3/t14-,15+,16?,17?
InChIKeyZWLHHPKVAHWICX-RYTJFDOTSA-N
MW309.41 g/mol
LogP3.46
Rot. Bonds2

About N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide

N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide (PubChem CID 134706743) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide
PubChem CID134706743
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)C1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C20H23NO2/c1-21(16-9-14-11-17(22)12-15(14)10-16)20(23)19-8-4-6-13-5-2-3-7-18(13)19/h2-8,14-17,22H,9-12H2,1H3/t14-,15+,16?,17?
InChIKeyZWLHHPKVAHWICX-RYTJFDOTSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide
CID 126856656
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 157012131
N-(2-aminocyclohexyl)-N-methylnaphthalene-1-carboxamide
CID 102638977
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-fluoro-N-methylbenzamide
CID 134702857
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-1-benzothiophene-3-carboxamide
CID 134705782
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-methylsulfonylbenzamide
CID 134712002
N,N-dimethylchrysene-1-carboxamide
CID 140682617
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 157012168
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 134706957
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(2,3-dimethylphenoxy)-N-methylacetamide
CID 134707544

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide (CID 134706743) is N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide is CN(C(=O)c1cccc2ccccc12)C1C[C@H]2CC(O)C[C@H]2C1.
What is the InChIKey of N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide?
The InChIKey is ZWLHHPKVAHWICX-RYTJFDOTSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21(16-9-14-11-17(22)12-15(14)10-16)20(23)19-8-4-6-13-5-2-3-7-18(13)19/h2-8,14-17,22H,9-12H2,1H3/t14-,15+,16?,17?.
What are the key properties of N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide?
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 134706743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).