3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide

C22H26N2O2 — CID 91795638

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(N2Cc3ccccc3C2)c1)C1CC(O)C1
InChIInChI=1S/C22H26N2O2/c1-2-21(18-11-20(25)12-18)23-22(26)15-8-5-9-19(10-15)24-13-16-6-3-4-7-17(16)14-24/h3-10,18,20-21,25H,2,11-14H2,1H3,(H,23,26)
InChIKeyVPXLINTZUZTACW-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.49
Rot. Bonds5

About 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide

3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide (PubChem CID 91795638) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide
PubChem CID91795638
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(N2Cc3ccccc3C2)c1)C1CC(O)C1
InChIInChI=1S/C22H26N2O2/c1-2-21(18-11-20(25)12-18)23-22(26)15-8-5-9-19(10-15)24-13-16-6-3-4-7-17(16)14-24/h3-10,18,20-21,25H,2,11-14H2,1H3,(H,23,26)
InChIKeyVPXLINTZUZTACW-UHFFFAOYSA-N
XLogP3.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide
CID 91787264
3-(1,3-dihydroisoindol-2-yl)benzoic acid
CID 937745
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
CID 91776192
3-(1,3-dihydroisoindol-2-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 99998378
3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 133265917
3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
CID 118783080
8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide
CID 91761826
3-(1,3-dihydroisoindol-2-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]benzamide
CID 137288333
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
1-[3-[4-(methylamino)-1,3-dihydroisoindol-2-yl]phenyl]ethanone
CID 117006160
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475
N-[1-(3-hydroxycyclobutyl)propyl]-2-pyridin-4-ylacetamide
CID 91781242

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide (CID 91795638) is 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide is CCC(NC(=O)c1cccc(N2Cc3ccccc3C2)c1)C1CC(O)C1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide?
The InChIKey is VPXLINTZUZTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-21(18-11-20(25)12-18)23-22(26)15-8-5-9-19(10-15)24-13-16-6-3-4-7-17(16)14-24/h3-10,18,20-21,25H,2,11-14H2,1H3,(H,23,26).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide?
3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide is sourced from PubChem (CID 91795638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).