3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one

C17H18N2O2 — CID 102537099

IUPAC3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc(C2C(N)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-21-14-9-5-8-13(10-14)16-15(18)17(20)19(16)11-12-6-3-2-4-7-12/h2-10,15-16H,11,18H2,1H3
InChIKeyZXWJWTCOHDJEDI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.11
Rot. Bonds4

About 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one

3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one (PubChem CID 102537099) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
PubChem CID102537099
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc(C2C(N)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C17H18N2O2/c1-21-14-9-5-8-13(10-14)16-15(18)17(20)19(16)11-12-6-3-2-4-7-12/h2-10,15-16H,11,18H2,1H3
InChIKeyZXWJWTCOHDJEDI-UHFFFAOYSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 131864147
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
(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
1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79498168
1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
CID 55681185
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287
1-benzyl-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 3378055

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one (CID 102537099) is 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one is COc1cccc(C2C(N)C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one?
The InChIKey is ZXWJWTCOHDJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-14-9-5-8-13(10-14)16-15(18)17(20)19(16)11-12-6-3-2-4-7-12/h2-10,15-16H,11,18H2,1H3.
What are the key properties of 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one?
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 102537099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).