(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one

C19H19NO2 — CID 100945342

IUPAC(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13(2)17-18(14-7-5-4-6-8-14)20(19(17)21)15-9-11-16(22-3)12-10-15/h4-12,17-18H,1H2,2-3H3/t17-,18-/m1/s1
InChIKeyBZYOWAXDIBMRQL-QZTJIDSGSA-N
MW293.37 g/mol
LogP3.98
Rot. Bonds4

About (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one

(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one (PubChem CID 100945342) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
PubChem CID100945342
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
SMILESC=C(C)[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13(2)17-18(14-7-5-4-6-8-14)20(19(17)21)15-9-11-16(22-3)12-10-15/h4-12,17-18H,1H2,2-3H3/t17-,18-/m1/s1
InChIKeyBZYOWAXDIBMRQL-QZTJIDSGSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,4S)-4-benzoyl-1-(4-methoxyphenyl)-3-prop-1-en-2-ylazetidin-2-one
CID 102241614
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101178816
2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560901
methyl (E)-3-[[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]amino]but-2-enoate
CID 70575634
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one (CID 100945342) is (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one is C=C(C)[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one?
The InChIKey is BZYOWAXDIBMRQL-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(2)17-18(14-7-5-4-6-8-14)20(19(17)21)15-9-11-16(22-3)12-10-15/h4-12,17-18H,1H2,2-3H3/t17-,18-/m1/s1.
What are the key properties of (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one?
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one is sourced from PubChem (CID 100945342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).