(3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one

C34H35NO3 — CID 139090897

IUPAC(3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@H](OCc3ccccc3)C2(CCc2ccccc2)CCc2ccccc2)cc1
InChIInChI=1S/C34H35NO3/c1-37-31-19-17-29(18-20-31)25-35-33(36)32(38-26-30-15-9-4-10-16-30)34(35,23-21-27-11-5-2-6-12-27)24-22-28-13-7-3-8-14-28/h2-20,32H,21-26H2,1H3/t32-/m0/s1
InChIKeyFHMNGZAMJRTVSI-YTTGMZPUSA-N
MW505.66 g/mol
LogP6.63
Rot. Bonds12

About (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one

(3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 139090897) has the molecular formula C34H35NO3 and a molecular weight of 505.66 g/mol. Its IUPAC name is (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one
PubChem CID139090897
Molecular FormulaC34H35NO3
Molecular Weight505.66 g/mol
Exact Mass505.26
IUPAC Name(3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one
SMILESCOc1ccc(CN2C(=O)[C@H](OCc3ccccc3)C2(CCc2ccccc2)CCc2ccccc2)cc1
InChIInChI=1S/C34H35NO3/c1-37-31-19-17-29(18-20-31)25-35-33(36)32(38-26-30-15-9-4-10-16-30)34(35,23-21-27-11-5-2-6-12-27)24-22-28-13-7-3-8-14-28/h2-20,32H,21-26H2,1H3/t32-/m0/s1
InChIKeyFHMNGZAMJRTVSI-YTTGMZPUSA-N
XLogP6.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 24767024
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
methyl (2S)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-(2-phenylethyl)azetidine-2-carboxylate
CID 102387644
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(4aR,7S,7aS)-4a-hydroxy-5-[(4-methoxyphenyl)methyl]-2,2-dimethyl-7-phenylmethoxy-7,7a-dihydro-4H-[1,3]dioxino[5,4-b]pyrrol-6-one
CID 53230760
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(5S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-6-prop-2-enylpiperidin-2-one
CID 141068643
(3R,4S,5R)-1-benzyl-3,4-dihydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 10881978
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(1aR,7bR)-5-methoxy-2-[(4-methoxyphenyl)methyl]-1a-(3-phenylpropyl)-1,7b-dihydrocyclopropa[c]isoquinolin-3-one
CID 132604775
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one (CID 139090897) is (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one is COc1ccc(CN2C(=O)[C@H](OCc3ccccc3)C2(CCc2ccccc2)CCc2ccccc2)cc1.
What is the InChIKey of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is FHMNGZAMJRTVSI-YTTGMZPUSA-N. The full InChI is InChI=1S/C34H35NO3/c1-37-31-19-17-29(18-20-31)25-35-33(36)32(38-26-30-15-9-4-10-16-30)34(35,23-21-27-11-5-2-6-12-27)24-22-28-13-7-3-8-14-28/h2-20,32H,21-26H2,1H3/t32-/m0/s1.
What are the key properties of (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one?
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 505.66 g/mol, XLogP of 6.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methoxyphenyl)methyl]-4,4-bis(2-phenylethyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 139090897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).