1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile

C24H20N2O3 — CID 3831485

IUPAC1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile
SMILESCOc1ccc(N2C(=O)CC2(C#N)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N2O3/c1-28-21-13-9-20(10-14-21)26-23(27)15-24(26,17-25)19-7-11-22(12-8-19)29-16-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeySHUNOKFAJRJHFC-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.43
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile

1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile (PubChem CID 3831485) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile
PubChem CID3831485
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile
SMILESCOc1ccc(N2C(=O)CC2(C#N)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N2O3/c1-28-21-13-9-20(10-14-21)26-23(27)15-24(26,17-25)19-7-11-22(12-8-19)29-16-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeySHUNOKFAJRJHFC-UHFFFAOYSA-N
XLogP4.43
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile (CID 3831485) is 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile is COc1ccc(N2C(=O)CC2(C#N)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile?
The InChIKey is SHUNOKFAJRJHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-28-21-13-9-20(10-14-21)26-23(27)15-24(26,17-25)19-7-11-22(12-8-19)29-16-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile?
1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-oxo-2-(4-phenylmethoxyphenyl)azetidine-2-carbonitrile is sourced from PubChem (CID 3831485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).