(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one

C18H20N2O2 — CID 124504145

IUPAC(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
SMILESCCc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(OC)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-7-9-14(10-8-12)20-17(16(19)18(20)21)13-5-4-6-15(11-13)22-2/h4-11,16-17H,3,19H2,1-2H3/t16-,17-/m1/s1
InChIKeyUPHNHECGXZBDJR-IAGOWNOFSA-N
MW296.37 g/mol
LogP2.67
Rot. Bonds4

About (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one

(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one (PubChem CID 124504145) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
PubChem CID124504145
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
SMILESCCc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(OC)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-7-9-14(10-8-12)20-17(16(19)18(20)21)13-5-4-6-15(11-13)22-2/h4-11,16-17H,3,19H2,1-2H3/t16-,17-/m1/s1
InChIKeyUPHNHECGXZBDJR-IAGOWNOFSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
CID 124503509
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124503943
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one (CID 124504145) is (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one is CCc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(OC)c2)cc1.
What is the InChIKey of (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The InChIKey is UPHNHECGXZBDJR-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-7-9-14(10-8-12)20-17(16(19)18(20)21)13-5-4-6-15(11-13)22-2/h4-11,16-17H,3,19H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124504145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).