(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one

C27H23NO3 — CID 11258353

IUPAC(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H]([C@H](O)c3ccc4ccccc4c3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C27H23NO3/c1-31-23-15-13-19(14-16-23)25-24(27(30)28(25)22-9-3-2-4-10-22)26(29)21-12-11-18-7-5-6-8-20(18)17-21/h2-17,24-26,29H,1H3/t24-,25-,26-/m1/s1
InChIKeyATAMPGORCAYAOR-TWJOJJKGSA-N
MW409.49 g/mol
LogP5.29
Rot. Bonds5

About (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one

(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (PubChem CID 11258353) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
PubChem CID11258353
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@H]([C@H](O)c3ccc4ccccc4c3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C27H23NO3/c1-31-23-15-13-19(14-16-23)25-24(27(30)28(25)22-9-3-2-4-10-22)26(29)21-12-11-18-7-5-6-8-20(18)17-21/h2-17,24-26,29H,1H3/t24-,25-,26-/m1/s1
InChIKeyATAMPGORCAYAOR-TWJOJJKGSA-N
XLogP5.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 22460134
3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one
CID 11559132
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(3S,4R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 159825691
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3S,4S)-3-[(1S)-2-(4-fluorophenyl)sulfinyl-1-hydroxyethyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 67603218
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (CID 11258353) is (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is COc1ccc([C@@H]2[C@H]([C@H](O)c3ccc4ccccc4c3)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The InChIKey is ATAMPGORCAYAOR-TWJOJJKGSA-N. The full InChI is InChI=1S/C27H23NO3/c1-31-23-15-13-19(14-16-23)25-24(27(30)28(25)22-9-3-2-4-10-22)26(29)21-12-11-18-7-5-6-8-20(18)17-21/h2-17,24-26,29H,1H3/t24-,25-,26-/m1/s1.
What are the key properties of (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one has a molecular weight of 409.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 11258353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).