(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one

C14H19NO — CID 45095274

IUPAC(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
SMILESCC[C@H]1C(=O)N(Cc2ccccc2)[C@H]1CC
InChIInChI=1S/C14H19NO/c1-3-12-13(4-2)15(14(12)16)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyGBQQEIODPBBRGC-OLZOCXBDSA-N
MW217.31 g/mol
LogP2.83
Rot. Bonds4

About (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one

(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one (PubChem CID 45095274) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
PubChem CID45095274
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
SMILESCC[C@H]1C(=O)N(Cc2ccccc2)[C@H]1CC
InChIInChI=1S/C14H19NO/c1-3-12-13(4-2)15(14(12)16)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyGBQQEIODPBBRGC-OLZOCXBDSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
(1S,2S,5R,6R)-2,3,5-tribenzyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 11728700
(3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
CID 23243964
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione
CID 142410731
(4S,5R)-3-benzyl-4-(hydroxymethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 58605835
(3S,4R)-1-benzyl-4-(difluoromethyl)-3-octylazetidin-2-one
CID 10336322
2-[(3R,4R,5S)-4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl]acetic acid
CID 928429
(3R,4S)-3-benzoyl-1-benzyl-4-ethylpyrrolidine-2,5-dione
CID 102325570

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one (CID 45095274) is (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one is CC[C@H]1C(=O)N(Cc2ccccc2)[C@H]1CC.
What is the InChIKey of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
The InChIKey is GBQQEIODPBBRGC-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-12-13(4-2)15(14(12)16)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one?
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-3,4-diethylazetidin-2-one is sourced from PubChem (CID 45095274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).