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

C18H20N2O4 — CID 124503855

IUPAC(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O4/c1-22-13-6-4-5-12(10-13)20-17(16(19)18(20)21)11-7-8-14(23-2)15(9-11)24-3/h4-10,16-17H,19H2,1-3H3/t16-,17+/m0/s1
InChIKeyOJUTVOBEXONIMX-DLBZAZTESA-N
MW328.37 g/mol
LogP2.13
Rot. Bonds5

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

(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one (PubChem CID 124503855) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
PubChem CID124503855
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O4/c1-22-13-6-4-5-12(10-13)20-17(16(19)18(20)21)11-7-8-14(23-2)15(9-11)24-3/h4-10,16-17H,19H2,1-3H3/t16-,17+/m0/s1
InChIKeyOJUTVOBEXONIMX-DLBZAZTESA-N
XLogP2.13
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124504026
(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124503912
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one (CID 124503855) is (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one is COc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one?
The InChIKey is OJUTVOBEXONIMX-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-13-6-4-5-12(10-13)20-17(16(19)18(20)21)11-7-8-14(23-2)15(9-11)24-3/h4-10,16-17H,19H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one?
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one has a molecular weight of 328.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124503855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).