[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate

C24H27NO5 — CID 57078408

IUPAC[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate
SMILESC=CC1C(=O)N(C(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)C1OC(C)=O
InChIInChI=1S/C24H27NO5/c1-5-22-23(27)25(24(22)30-16(2)26)19(14-17-6-10-20(28-3)11-7-17)15-18-8-12-21(29-4)13-9-18/h5-13,19,22,24H,1,14-15H2,2-4H3
InChIKeyCQJMMLAWVVLPON-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.39
Rot. Bonds9

About [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate

[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate (PubChem CID 57078408) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate
PubChem CID57078408
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate
SMILESC=CC1C(=O)N(C(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)C1OC(C)=O
InChIInChI=1S/C24H27NO5/c1-5-22-23(27)25(24(22)30-16(2)26)19(14-17-6-10-20(28-3)11-7-17)15-18-8-12-21(29-4)13-9-18/h5-13,19,22,24H,1,14-15H2,2-4H3
InChIKeyCQJMMLAWVVLPON-UHFFFAOYSA-N
XLogP3.39
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl] acetate
CID 70409868
1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid
CID 13232006
3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one
CID 70501844
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
butyl 1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-(1-hydroxyethyl)-4-oxoazetidine-2-carboxylate
CID 57067780
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(4-methoxyphenyl)methyl 2-[2-acetyloxy-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-bromosulfanyl-3-methylbutanoate
CID 20534658
2-[[3-acetyloxy-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-oxo-3-phenylsulfanylazetidine-2-carbonyl]amino]acetic acid
CID 139622078
(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one
CID 102400551
[(3S)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
CID 162415715

Frequently Asked Questions

What is the IUPAC name of [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate (CID 57078408) is [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate is C=CC1C(=O)N(C(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)C1OC(C)=O.
What is the InChIKey of [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate?
The InChIKey is CQJMMLAWVVLPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-5-22-23(27)25(24(22)30-16(2)26)19(14-17-6-10-20(28-3)11-7-17)15-18-8-12-21(29-4)13-9-18/h5-13,19,22,24H,1,14-15H2,2-4H3.
What are the key properties of [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate?
[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate has a molecular weight of 409.48 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-3-ethenyl-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 57078408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).