3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one

C28H30N2O3 — CID 70501844

IUPAC3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one
SMILESCOc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)C(N)C2C=Cc2ccccc2)cc1
InChIInChI=1S/C28H30N2O3/c1-32-24-13-8-21(9-14-24)18-23(19-22-10-15-25(33-2)16-11-22)30-26(27(29)28(30)31)17-12-20-6-4-3-5-7-20/h3-17,23,26-27H,18-19,29H2,1-2H3
InChIKeyORTAJRRWHBJVPA-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.11
Rot. Bonds9

About 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one

3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one (PubChem CID 70501844) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one
PubChem CID70501844
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one
SMILESCOc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)C(N)C2C=Cc2ccccc2)cc1
InChIInChI=1S/C28H30N2O3/c1-32-24-13-8-21(9-14-24)18-23(19-22-10-15-25(33-2)16-11-22)30-26(27(29)28(30)31)17-12-20-6-4-3-5-7-20/h3-17,23,26-27H,18-19,29H2,1-2H3
InChIKeyORTAJRRWHBJVPA-UHFFFAOYSA-N
XLogP4.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029
(3S,4R)-3-butyl-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 101007675
[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate
CID 57078408
(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one
CID 18598712
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
CID 54028985
methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate
CID 102264161
(5S,7R)-7-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 25023287
(2R,3R)-1-diphenylphosphoryl-2-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]aziridine
CID 132535712
methyl (3S)-3-[(3R,4S)-2-oxo-4-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)azetidin-1-yl]pentanoate
CID 70416570
N-[1-[bis(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-thiophen-2-ylacetamide
CID 13478581
(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-phenylmethoxyazetidin-2-one
CID 139676948
butyl 1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethyl-4-oxo-3-phenylsulfanylazetidine-2-carboxylate
CID 70502354

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one (CID 70501844) is 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one is COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)C(N)C2C=Cc2ccccc2)cc1.
What is the InChIKey of 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one?
The InChIKey is ORTAJRRWHBJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-32-24-13-8-21(9-14-24)18-23(19-22-10-15-25(33-2)16-11-22)30-26(27(29)28(30)31)17-12-20-6-4-3-5-7-20/h3-17,23,26-27H,18-19,29H2,1-2H3.
What are the key properties of 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one?
3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one has a molecular weight of 442.56 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one is sourced from PubChem (CID 70501844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).