(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one

C20H21NO — CID 14465638

IUPAC(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
SMILESC/C(=C\c1ccccc1)[C@@H]1CC(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C20H21NO/c1-15(13-17-9-5-3-6-10-17)19-14-20(22)21(19)16(2)18-11-7-4-8-12-18/h3-13,16,19H,14H2,1-2H3/b15-13+/t16-,19-/m0/s1
InChIKeyWKRUYCFVJFFGJD-KYPGLKONSA-N
MW291.39 g/mol
LogP4.45
Rot. Bonds4

About (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one

(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one (PubChem CID 14465638) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
PubChem CID14465638
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
SMILESC/C(=C\c1ccccc1)[C@@H]1CC(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C20H21NO/c1-15(13-17-9-5-3-6-10-17)19-14-20(22)21(19)16(2)18-11-7-4-8-12-18/h3-13,16,19H,14H2,1-2H3/b15-13+/t16-,19-/m0/s1
InChIKeyWKRUYCFVJFFGJD-KYPGLKONSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one with MolForge

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Related Compounds

(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
(3aS,7aS)-1-(1-phenylethyl)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 132550857
S-[5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl] ethanethioate
CID 168704432
(4R)-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 10263949
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434
3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]propanal
CID 163433479
(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 10538773
4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 68806012
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58945362
4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The IUPAC name of (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one (CID 14465638) is (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one.
What is the SMILES notation for (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The canonical SMILES for (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one is C/C(=C\c1ccccc1)[C@@H]1CC(=O)N1[C@@H](C)c1ccccc1.
What is the InChIKey of (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
The InChIKey is WKRUYCFVJFFGJD-KYPGLKONSA-N. The full InChI is InChI=1S/C20H21NO/c1-15(13-17-9-5-3-6-10-17)19-14-20(22)21(19)16(2)18-11-7-4-8-12-18/h3-13,16,19H,14H2,1-2H3/b15-13+/t16-,19-/m0/s1.
What are the key properties of (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one?
(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one is sourced from PubChem (CID 14465638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).