[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate

About [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate

[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate (PubChem CID 156739991) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate.

Molecular Properties

Compound Name	[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate
PubChem CID	156739991
Molecular Formula	C28H34N2O4
Molecular Weight	462.59 g/mol
Exact Mass	462.25
IUPAC Name	[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate
SMILES	COCOc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@@H]2CN3CCC2CC3)cc1
InChI	InChI=1S/C28H34N2O4/c1-32-18-33-23-5-2-19(3-6-23)21-4-7-24-22(16-21)8-11-28(12-13-28)26(24)29-27(31)34-25-17-30-14-9-20(25)10-15-30/h2-7,16,20,25-26H,8-15,17-18H2,1H3,(H,29,31)/t25-,26?/m1/s1
InChIKey	KUIJJWGQCLIGLI-DCWQJPKNSA-N
XLogP	4.92
TPSA	60.03 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate?

The IUPAC name of [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate (CID 156739991) is [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate.

What is the SMILES notation for [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate?

The canonical SMILES for [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate is COCOc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@@H]2CN3CCC2CC3)cc1.

What is the InChIKey of [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate?

The InChIKey is KUIJJWGQCLIGLI-DCWQJPKNSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-32-18-33-23-5-2-19(3-6-23)21-4-7-24-22(16-21)8-11-28(12-13-28)26(24)29-27(31)34-25-17-30-14-9-20(25)10-15-30/h2-7,16,20,25-26H,8-15,17-18H2,1H3,(H,29,31)/t25-,26?/m1/s1.

What are the key properties of [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate?

[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate has a molecular weight of 462.59 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[4-(methoxymethoxy)phenyl]spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-yl]carbamate is sourced from PubChem (CID 156739991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).