4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide

C22H26N2O2 — CID 135254132

IUPAC4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C=C2CN(CC(C)(C)O)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-6-4-5-7-20(16)23-21(25)19-10-8-17(9-11-19)12-18-13-24(14-18)15-22(2,3)26/h4-12,26H,13-15H2,1-3H3,(H,23,25)
InChIKeyCCKSQIZIMIZJTH-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.72
Rot. Bonds5

About 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide

4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide (PubChem CID 135254132) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide
PubChem CID135254132
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C=C2CN(CC(C)(C)O)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-6-4-5-7-20(16)23-21(25)19-10-8-17(9-11-19)12-18-13-24(14-18)15-22(2,3)26/h4-12,26H,13-15H2,1-3H3,(H,23,25)
InChIKeyCCKSQIZIMIZJTH-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide
CID 142389610
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
[2-[[4-[[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzoyl]amino]phenyl] carbamate
CID 175334039
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide
CID 138662403
methyl 4-[(E)-[1-(2-hydroxy-2-methylpropyl)azepan-4-ylidene]methyl]benzoate
CID 135156410
N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide
CID 161388785

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide (CID 135254132) is 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(C=C2CN(CC(C)(C)O)C2)cc1.
What is the InChIKey of 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide?
The InChIKey is CCKSQIZIMIZJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-6-4-5-7-20(16)23-21(25)19-10-8-17(9-11-19)12-18-13-24(14-18)15-22(2,3)26/h4-12,26H,13-15H2,1-3H3,(H,23,25).
What are the key properties of 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide?
4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxy-2-methylpropyl)azetidin-3-ylidene]methyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 135254132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).