N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide

C25H26N2O2 — CID 10150574

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C25H26N2O2/c28-25(26-24-16-27-12-10-20(24)11-13-27)21-7-6-19-8-9-23(15-22(19)14-21)29-17-18-4-2-1-3-5-18/h1-9,14-15,20,24H,10-13,16-17H2,(H,26,28)/t24-/m0/s1
InChIKeyVXBCKVNVHXKPBM-DEOSSOPVSA-N
MW386.50 g/mol
LogP4.24
Rot. Bonds5

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide (PubChem CID 10150574) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide
PubChem CID10150574
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C25H26N2O2/c28-25(26-24-16-27-12-10-20(24)11-13-27)21-7-6-19-8-9-23(15-22(19)14-21)29-17-18-4-2-1-3-5-18/h1-9,14-15,20,24H,10-13,16-17H2,(H,26,28)/t24-/m0/s1
InChIKeyVXBCKVNVHXKPBM-DEOSSOPVSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide with MolForge

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Related Compounds

7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide
CID 155513565
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-(1-azabicyclo[2.2.2]octan-3-yl)-8-chloronaphthalene-2-carboxamide
CID 22243458
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 59079757
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
CID 5136899
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-benzofuran-6-carboxamide
CID 22481785

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide (CID 10150574) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccc(OCc3ccccc3)cc2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide?
The InChIKey is VXBCKVNVHXKPBM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(26-24-16-27-12-10-20(24)11-13-27)21-7-6-19-8-9-23(15-22(19)14-21)29-17-18-4-2-1-3-5-18/h1-9,14-15,20,24H,10-13,16-17H2,(H,26,28)/t24-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 10150574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).