N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide

C20H24N2O2 — CID 100851447

IUPACN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C20H24N2O2/c23-20(21-18-10-12-22-11-4-3-7-19(18)22)14-24-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13,18-19H,3-4,7,10-12,14H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyHMYVQFWFYVESFR-OALUTQOASA-N
MW324.42 g/mol
LogP2.96
Rot. Bonds4

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

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 100851447) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID100851447
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)N[C@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C20H24N2O2/c23-20(21-18-10-12-22-11-4-3-7-19(18)22)14-24-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13,18-19H,3-4,7,10-12,14H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyHMYVQFWFYVESFR-OALUTQOASA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
CID 78891490
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 16895598
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide
CID 4507619
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 95270021
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide (CID 100851447) is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)N[C@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is HMYVQFWFYVESFR-OALUTQOASA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(21-18-10-12-22-11-4-3-7-19(18)22)14-24-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13,18-19H,3-4,7,10-12,14H2,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide?
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 324.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 100851447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).