1-benzyl-3-(benzylamino)azetidin-2-one

C17H18N2O — CID 86116144

IUPAC1-benzyl-3-(benzylamino)azetidin-2-one
SMILESO=C1C(NCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c20-17-16(18-11-14-7-3-1-4-8-14)13-19(17)12-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2
InChIKeyWNCGMMYZNKFLFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.19
Rot. Bonds5

About 1-benzyl-3-(benzylamino)azetidin-2-one

1-benzyl-3-(benzylamino)azetidin-2-one (PubChem CID 86116144) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-benzyl-3-(benzylamino)azetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(benzylamino)azetidin-2-one
PubChem CID86116144
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-benzyl-3-(benzylamino)azetidin-2-one
SMILESO=C1C(NCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c20-17-16(18-11-14-7-3-1-4-8-14)13-19(17)12-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2
InChIKeyWNCGMMYZNKFLFY-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
(3S)-3-(benzylamino)-1-(4-methoxyphenyl)azetidin-2-one
CID 99978732
(6R)-4-benzyl-2-hydroxy-6-phenylmorpholin-3-one
CID 101359131
(3S,4S)-1-benzyl-3-chloro-4-(chloromethyl)pyrrolidin-2-one
CID 101020826
3-acetyl-1-benzylazetidin-2-one
CID 13222627
(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one
CID 95590642
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
CID 10751244
(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
CID 11600997
(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 131329119
(3R,4S)-1-benzyl-4-phenyl-3-prop-2-ynylpyrrolidin-2-one
CID 90404455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(benzylamino)azetidin-2-one?
The IUPAC name of 1-benzyl-3-(benzylamino)azetidin-2-one (CID 86116144) is 1-benzyl-3-(benzylamino)azetidin-2-one.
What is the SMILES notation for 1-benzyl-3-(benzylamino)azetidin-2-one?
The canonical SMILES for 1-benzyl-3-(benzylamino)azetidin-2-one is O=C1C(NCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(benzylamino)azetidin-2-one?
The InChIKey is WNCGMMYZNKFLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-16(18-11-14-7-3-1-4-8-14)13-19(17)12-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2.
What are the key properties of 1-benzyl-3-(benzylamino)azetidin-2-one?
1-benzyl-3-(benzylamino)azetidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(benzylamino)azetidin-2-one is sourced from PubChem (CID 86116144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).