(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one

C17H18N2O2 — CID 99978732

IUPAC(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C[C@H](NCc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H18N2O2/c1-21-15-9-7-14(8-10-15)19-12-16(17(19)20)18-11-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3/t16-/m0/s1
InChIKeyWUTPKJFPHFADNH-INIZCTEOSA-N
MW282.34 g/mol
LogP2.20
Rot. Bonds5

About (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one

(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 99978732) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID99978732
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C[C@H](NCc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H18N2O2/c1-21-15-9-7-14(8-10-15)19-12-16(17(19)20)18-11-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3/t16-/m0/s1
InChIKeyWUTPKJFPHFADNH-INIZCTEOSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
(3R,4S)-3-benzyl-4-hydroxy-1-(4-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 101405679
1-benzyl-3-(benzylamino)azetidin-2-one
CID 86116144
1,5-bis(4-methoxyphenyl)piperidin-2-one
CID 153340032
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one
CID 138051102
(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one
CID 175298571
3-(benzylamino)-6-(4-methoxyphenyl)-6-methyloxane-2,5-dione
CID 10664808
(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 10316011
(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
CID 2162408

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one (CID 99978732) is (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C[C@H](NCc3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is WUTPKJFPHFADNH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-9-7-14(8-10-15)19-12-16(17(19)20)18-11-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one?
(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 99978732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).