3-amino-1,4-bis(4-methylphenyl)azetidin-2-one

C17H18N2O — CID 23602062

IUPAC3-amino-1,4-bis(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O/c1-11-3-7-13(8-4-11)16-15(18)17(20)19(16)14-9-5-12(2)6-10-14/h3-10,15-16H,18H2,1-2H3
InChIKeyRGKWUPQSQGIZAY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.72
Rot. Bonds2

About 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one

3-amino-1,4-bis(4-methylphenyl)azetidin-2-one (PubChem CID 23602062) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1,4-bis(4-methylphenyl)azetidin-2-one
PubChem CID23602062
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-1,4-bis(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O/c1-11-3-7-13(8-4-11)16-15(18)17(20)19(16)14-9-5-12(2)6-10-14/h3-10,15-16H,18H2,1-2H3
InChIKeyRGKWUPQSQGIZAY-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one (CID 23602062) is 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one is Cc1ccc(C2C(N)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one?
The InChIKey is RGKWUPQSQGIZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-3-7-13(8-4-11)16-15(18)17(20)19(16)14-9-5-12(2)6-10-14/h3-10,15-16H,18H2,1-2H3.
What are the key properties of 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one?
3-amino-1,4-bis(4-methylphenyl)azetidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4-bis(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 23602062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).