3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one

C19H22N2O — CID 3458991

IUPAC3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc(N2C(=O)C(CN(C)C)C2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c1-14-9-11-16(12-10-14)21-18(15-7-5-4-6-8-15)17(19(21)22)13-20(2)3/h4-12,17-18H,13H2,1-3H3
InChIKeyOELCSXWFUBZJLT-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.26
Rot. Bonds4

About 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one

3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one (PubChem CID 3458991) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one
PubChem CID3458991
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one
SMILESCc1ccc(N2C(=O)C(CN(C)C)C2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c1-14-9-11-16(12-10-14)21-18(15-7-5-4-6-8-15)17(19(21)22)13-20(2)3/h4-12,17-18H,13H2,1-3H3
InChIKeyOELCSXWFUBZJLT-UHFFFAOYSA-N
XLogP3.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The IUPAC name of 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one (CID 3458991) is 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one is Cc1ccc(N2C(=O)C(CN(C)C)C2c2ccccc2)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one?
The InChIKey is OELCSXWFUBZJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-9-11-16(12-10-14)21-18(15-7-5-4-6-8-15)17(19(21)22)13-20(2)3/h4-12,17-18H,13H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one?
3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-(4-methylphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 3458991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).