2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone

C19H23N3O — CID 72921558

IUPAC2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
SMILESCc1ccc(C(C(=O)N2CC(c3ccccn3)C2)N(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-14-7-9-15(10-8-14)18(21(2)3)19(23)22-12-16(13-22)17-6-4-5-11-20-17/h4-11,16,18H,12-13H2,1-3H3
InChIKeyCGGDNEMNRROISR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.62
Rot. Bonds4

About 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone

2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone (PubChem CID 72921558) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
PubChem CID72921558
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
SMILESCc1ccc(C(C(=O)N2CC(c3ccccn3)C2)N(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-14-7-9-15(10-8-14)18(21(2)3)19(23)22-12-16(13-22)17-6-4-5-11-20-17/h4-11,16,18H,12-13H2,1-3H3
InChIKeyCGGDNEMNRROISR-UHFFFAOYSA-N
XLogP2.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone (CID 72921558) is 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone is Cc1ccc(C(C(=O)N2CC(c3ccccn3)C2)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The InChIKey is CGGDNEMNRROISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-7-9-15(10-8-14)18(21(2)3)19(23)22-12-16(13-22)17-6-4-5-11-20-17/h4-11,16,18H,12-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 72921558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).