N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide

C21H25N3O — CID 90567577

IUPACN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1CN2CCN1CC2
InChIInChI=1S/C21H25N3O/c25-21(22-15-20-16-23-10-12-24(20)13-11-23)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20H,10-16H2,(H,22,25)
InChIKeyRAGHOWMGKFQTKS-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.01
Rot. Bonds5

About N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide (PubChem CID 90567577) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide
PubChem CID90567577
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1CN2CCN1CC2
InChIInChI=1S/C21H25N3O/c25-21(22-15-20-16-23-10-12-24(20)13-11-23)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20H,10-16H2,(H,22,25)
InChIKeyRAGHOWMGKFQTKS-UHFFFAOYSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
CID 124612349
N-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
CID 124612350
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)prop-2-enamide
CID 130949482
3-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]benzoic acid
CID 18457811
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90567503
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methylsulfinylbenzamide
CID 167951747
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71583022
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 90567505
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 90567386

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide (CID 90567577) is N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCC1CN2CCN1CC2.
What is the InChIKey of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide?
The InChIKey is RAGHOWMGKFQTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(22-15-20-16-23-10-12-24(20)13-11-23)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20H,10-16H2,(H,22,25).
What are the key properties of N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide?
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 90567577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).