N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide

C22H25N3O2 — CID 119709596

IUPACN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c26-21(13-15-11-19-9-10-20(12-15)23-19)24-17-7-4-8-18(14-17)25-22(27)16-5-2-1-3-6-16/h1-8,14-15,19-20,23H,9-13H2,(H,24,26)(H,25,27)
InChIKeyUDRMGFSXPYJCFC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.80
Rot. Bonds5

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

N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide (PubChem CID 119709596) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
PubChem CID119709596
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c26-21(13-15-11-19-9-10-20(12-15)23-19)24-17-7-4-8-18(14-17)25-22(27)16-5-2-1-3-6-16/h1-8,14-15,19-20,23H,9-13H2,(H,24,26)(H,25,27)
InChIKeyUDRMGFSXPYJCFC-UHFFFAOYSA-N
XLogP3.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide with MolForge

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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
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 119714267
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701069
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
CID 119789178
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-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 119717801

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide (CID 119709596) is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide is O=C(CC1CC2CCC(C1)N2)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is UDRMGFSXPYJCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(13-15-11-19-9-10-20(12-15)23-19)24-17-7-4-8-18(14-17)25-22(27)16-5-2-1-3-6-16/h1-8,14-15,19-20,23H,9-13H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 119709596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).