(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C27H29NO7 — CID 163287277

IUPAC(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C27H29NO7/c1-31-21-11-10-18(12-22(21)35-16-17-8-6-5-7-9-17)25-20(15-29)27(30)28(25)19-13-23(32-2)26(34-4)24(14-19)33-3/h5-14,20,25,29H,15-16H2,1-4H3/t20-,25-/m0/s1
InChIKeyCDJMSJYMIXAVEA-CPJSRVTESA-N
MW479.53 g/mol
LogP4.00
Rot. Bonds10

About (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 163287277) has the molecular formula C27H29NO7 and a molecular weight of 479.53 g/mol. Its IUPAC name is (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID163287277
Molecular FormulaC27H29NO7
Molecular Weight479.53 g/mol
Exact Mass479.19
IUPAC Name(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C27H29NO7/c1-31-21-11-10-18(12-22(21)35-16-17-8-6-5-7-9-17)25-20(15-29)27(30)28(25)19-13-23(32-2)26(34-4)24(14-19)33-3/h5-14,20,25,29H,15-16H2,1-4H3/t20-,25-/m0/s1
InChIKeyCDJMSJYMIXAVEA-CPJSRVTESA-N
XLogP4.00
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-3-azido-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-ol
CID 137456520
(3S,4R)-3-(chloromethyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162667268
[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11442314
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
[2-methoxy-5-[(2R,3S)-4-oxo-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-yl]phenyl] dihydrogen phosphate
CID 127025535
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
(3R,4R)-3-[(4-fluorophenoxy)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162675381
(4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974440
(3R,4S)-3-hydroxy-3-(hydroxymethyl)-1-(3-methoxy-4,5-dimethylphenyl)-4-(4-methyl-3-phenylmethoxyphenyl)azetidin-2-one
CID 157272492
(2R,3S,4S,5S)-2-[1,2-bis(phenylmethoxy)ethyl]-1-hydroxy-5-(4-methoxy-3-phenylmethoxyphenyl)-3,4-bis(phenylmethoxy)pyrrolidine
CID 132917814
(3S,4R)-4-(3,4-dihydroxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025179
(3R,4R)-4-(3-bromo-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 127025552

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 163287277) is (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc([C@H]2[C@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is CDJMSJYMIXAVEA-CPJSRVTESA-N. The full InChI is InChI=1S/C27H29NO7/c1-31-21-11-10-18(12-22(21)35-16-17-8-6-5-7-9-17)25-20(15-29)27(30)28(25)19-13-23(32-2)26(34-4)24(14-19)33-3/h5-14,20,25,29H,15-16H2,1-4H3/t20-,25-/m0/s1.
What are the key properties of (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 479.53 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(hydroxymethyl)-4-(4-methoxy-3-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 163287277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).