3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide

C23H27N3O2 — CID 119714267

IUPAC3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-26(21-8-3-2-4-9-21)23(28)17-6-5-7-18(15-17)25-22(27)14-16-12-19-10-11-20(13-16)24-19/h2-9,15-16,19-20,24H,10-14H2,1H3,(H,25,27)
InChIKeyCNHJKFHFHPXVRJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.82
Rot. Bonds5

About 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 119714267) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID119714267
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-26(21-8-3-2-4-9-21)23(28)17-6-5-7-18(15-17)25-22(27)14-16-12-19-10-11-20(13-16)24-19/h2-9,15-16,19-20,24H,10-14H2,1H3,(H,25,27)
InChIKeyCNHJKFHFHPXVRJ-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
1-[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549335
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 119717801
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1-methoxyethyl)phenyl]acetamide
CID 119768546
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
CID 119789178

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide (CID 119714267) is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is CNHJKFHFHPXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26(21-8-3-2-4-9-21)23(28)17-6-5-7-18(15-17)25-22(27)14-16-12-19-10-11-20(13-16)24-19/h2-9,15-16,19-20,24H,10-14H2,1H3,(H,25,27).
What are the key properties of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 377.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 119714267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).