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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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).