(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one

C14H20N2O — CID 165354910

IUPAC(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one
SMILESCCN(CC)[C@H]1C(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O/c1-4-16(5-2)13-12(15(3)14(13)17)11-9-7-6-8-10-11/h6-10,12-13H,4-5H2,1-3H3/t12-,13+/m0/s1
InChIKeyKXXGDFDCNAYKFX-QWHCGFSZSA-N
MW232.33 g/mol
LogP1.91
Rot. Bonds4

About (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one

(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one (PubChem CID 165354910) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one
PubChem CID165354910
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one
SMILESCCN(CC)[C@H]1C(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O/c1-4-16(5-2)13-12(15(3)14(13)17)11-9-7-6-8-10-11/h6-10,12-13H,4-5H2,1-3H3/t12-,13+/m0/s1
InChIKeyKXXGDFDCNAYKFX-QWHCGFSZSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one (CID 165354910) is (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one is CCN(CC)[C@H]1C(=O)N(C)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one?
The InChIKey is KXXGDFDCNAYKFX-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-16(5-2)13-12(15(3)14(13)17)11-9-7-6-8-10-11/h6-10,12-13H,4-5H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one?
(3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(diethylamino)-1-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 165354910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).