(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one

C22H21NO2 — CID 15260095

IUPAC(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO2/c1-22(2)20(19-10-6-8-15-7-4-5-9-18(15)19)23(21(22)24)16-11-13-17(25-3)14-12-16/h4-14,20H,1-3H3/t20-/m0/s1
InChIKeyHBKGUWXLKAJJPS-FQEVSTJZSA-N
MW331.42 g/mol
LogP4.96
Rot. Bonds3

About (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one

(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one (PubChem CID 15260095) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
PubChem CID15260095
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cccc3ccccc23)cc1
InChIInChI=1S/C22H21NO2/c1-22(2)20(19-10-6-8-15-7-4-5-9-18(15)19)23(21(22)24)16-11-13-17(25-3)14-12-16/h4-14,20H,1-3H3/t20-/m0/s1
InChIKeyHBKGUWXLKAJJPS-FQEVSTJZSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one?
The IUPAC name of (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one (CID 15260095) is (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one.
What is the SMILES notation for (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one?
The canonical SMILES for (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one is COc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cccc3ccccc23)cc1.
What is the InChIKey of (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one?
The InChIKey is HBKGUWXLKAJJPS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21NO2/c1-22(2)20(19-10-6-8-15-7-4-5-9-18(15)19)23(21(22)24)16-11-13-17(25-3)14-12-16/h4-14,20H,1-3H3/t20-/m0/s1.
What are the key properties of (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one?
(4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methoxyphenyl)-3,3-dimethyl-4-naphthalen-1-ylazetidin-2-one is sourced from PubChem (CID 15260095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).