N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide

C20H25N3O2 — CID 124612349

IUPACN-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
SMILESCOc1ccc2cccc(CC(=O)NC[C@@H]3CN4CCN3CC4)c2c1
InChIInChI=1S/C20H25N3O2/c1-25-18-6-5-15-3-2-4-16(19(15)12-18)11-20(24)21-13-17-14-22-7-9-23(17)10-8-22/h2-6,12,17H,7-11,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyAHJTYXSLNFSJDN-QGZVFWFLSA-N
MW339.44 g/mol
LogP1.51
Rot. Bonds5

About N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide

N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide (PubChem CID 124612349) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
PubChem CID124612349
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
SMILESCOc1ccc2cccc(CC(=O)NC[C@@H]3CN4CCN3CC4)c2c1
InChIInChI=1S/C20H25N3O2/c1-25-18-6-5-15-3-2-4-16(19(15)12-18)11-20(24)21-13-17-14-22-7-9-23(17)10-8-22/h2-6,12,17H,7-11,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyAHJTYXSLNFSJDN-QGZVFWFLSA-N
XLogP1.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
CID 124612350
N-(2-cyclopentyl-2-hydroxyethyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380188
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide
CID 90567577
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
6-bromo-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-[(E)-2-(3-methoxyphenyl)ethenyl]quinoline-4-carboxamide
CID 166360591
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 75388302
2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
CID 75388312
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide?
The IUPAC name of N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide (CID 124612349) is N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide?
The canonical SMILES for N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide is COc1ccc2cccc(CC(=O)NC[C@@H]3CN4CCN3CC4)c2c1.
What is the InChIKey of N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide?
The InChIKey is AHJTYXSLNFSJDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-6-5-15-3-2-4-16(19(15)12-18)11-20(24)21-13-17-14-22-7-9-23(17)10-8-22/h2-6,12,17H,7-11,13-14H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide?
N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 124612349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).