3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

C21H26N2O2 — CID 3840657

IUPAC3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCCN(CC)CC1C(=O)N(c2ccc(OC)cc2)C1c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-22(5-2)15-19-20(16-9-7-6-8-10-16)23(21(19)24)17-11-13-18(25-3)14-12-17/h6-14,19-20H,4-5,15H2,1-3H3
InChIKeyHPSDHIVJUOTFMB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.74
Rot. Bonds7

About 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (PubChem CID 3840657) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
PubChem CID3840657
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCCN(CC)CC1C(=O)N(c2ccc(OC)cc2)C1c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-4-22(5-2)15-19-20(16-9-7-6-8-10-16)23(21(19)24)17-11-13-18(25-3)14-12-17/h6-14,19-20H,4-5,15H2,1-3H3
InChIKeyHPSDHIVJUOTFMB-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The IUPAC name of 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (CID 3840657) is 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is CCN(CC)CC1C(=O)N(c2ccc(OC)cc2)C1c1ccccc1.
What is the InChIKey of 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The InChIKey is HPSDHIVJUOTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-22(5-2)15-19-20(16-9-7-6-8-10-16)23(21(19)24)17-11-13-18(25-3)14-12-17/h6-14,19-20H,4-5,15H2,1-3H3.
What are the key properties of 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 3840657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).