(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one

C19H21NO2 — CID 13219690

IUPAC(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](C(C)C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/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/h4-13,17-18H,1-3H3/t17-,18+/m1/s1
InChIKeyGTBDTBOMJABTLL-MSOLQXFVSA-N
MW295.38 g/mol
LogP4.06
Rot. Bonds4

About (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one

(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one (PubChem CID 13219690) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
PubChem CID13219690
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](C(C)C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/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/h4-13,17-18H,1-3H3/t17-,18+/m1/s1
InChIKeyGTBDTBOMJABTLL-MSOLQXFVSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 11258353
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 22460134
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-methylsulfinylazetidin-2-one
CID 53493590
methyl (3S)-3-[[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]amino]-2,2-dimethyl-3-phenylpropanoate
CID 102261388

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one (CID 13219690) is (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one is COc1ccc(N2C(=O)[C@H](C(C)C)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one?
The InChIKey is GTBDTBOMJABTLL-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21NO2/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/h4-13,17-18H,1-3H3/t17-,18+/m1/s1.
What are the key properties of (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one?
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 13219690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).