3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one

C19H22N2O3 — CID 102537030

IUPAC3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(N)C(=O)N2c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-11-5-7-14(9-12(11)2)21-18(17(20)19(21)22)13-6-8-15(23-3)16(10-13)24-4/h5-10,17-18H,20H2,1-4H3
InChIKeyJHWJVTCSVRULKD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one

3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one (PubChem CID 102537030) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
PubChem CID102537030
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
SMILESCOc1ccc(C2C(N)C(=O)N2c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H22N2O3/c1-11-5-7-14(9-12(11)2)21-18(17(20)19(21)22)13-6-8-15(23-3)16(10-13)24-4/h5-10,17-18H,20H2,1-4H3
InChIKeyJHWJVTCSVRULKD-UHFFFAOYSA-N
XLogP2.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one (CID 102537030) is 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one is COc1ccc(C2C(N)C(=O)N2c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The InChIKey is JHWJVTCSVRULKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-11-5-7-14(9-12(11)2)21-18(17(20)19(21)22)13-6-8-15(23-3)16(10-13)24-4/h5-10,17-18H,20H2,1-4H3.
What are the key properties of 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one is sourced from PubChem (CID 102537030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).