N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

C23H23N3O3 — CID 119458289

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H23N3O3/c27-21(25-18-11-16-8-9-17(12-18)24-16)15-5-3-4-14(10-15)13-26-22(28)19-6-1-2-7-20(19)23(26)29/h1-7,10,16-18,24H,8-9,11-13H2,(H,25,27)
InChIKeyOQGIOFUVADGZAM-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.50
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 119458289) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID119458289
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H23N3O3/c27-21(25-18-11-16-8-9-17(12-18)24-16)15-5-3-4-14(10-15)13-26-22(28)19-6-1-2-7-20(19)23(26)29/h1-7,10,16-18,24H,8-9,11-13H2,(H,25,27)
InChIKeyOQGIOFUVADGZAM-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119456634
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557136
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119458632
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55554837
cis-(1R,3S)-3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678402
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide;hydrochloride
CID 119456231
2-[[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione;hydrochloride
CID 119562797
N-(4-aminocyclohexyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119475030
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 119458289) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is O=C(NC1CC2CCC(C1)N2)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is OQGIOFUVADGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(25-18-11-16-8-9-17(12-18)24-16)15-5-3-4-14(10-15)13-26-22(28)19-6-1-2-7-20(19)23(26)29/h1-7,10,16-18,24H,8-9,11-13H2,(H,25,27).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 119458289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).