(3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one

C26H26N2O — CID 101061737

IUPAC(3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@H](c2ccccc2)[C@H]1/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C26H26N2O/c1-19(21-12-6-3-7-13-21)27-18-24-25(23-16-10-5-11-17-23)26(29)28(24)20(2)22-14-8-4-9-15-22/h3-20,24-25H,1-2H3/b27-18+/t19-,20-,24-,25-/m1/s1
InChIKeyMWTQXDSBROOGCV-IGSBTCBBSA-N
MW382.51 g/mol
LogP5.57
Rot. Bonds6

About (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one

(3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one (PubChem CID 101061737) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one
PubChem CID101061737
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name(3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@H](c2ccccc2)[C@H]1/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C26H26N2O/c1-19(21-12-6-3-7-13-21)27-18-24-25(23-16-10-5-11-17-23)26(29)28(24)20(2)22-14-8-4-9-15-22/h3-20,24-25H,1-2H3/b27-18+/t19-,20-,24-,25-/m1/s1
InChIKeyMWTQXDSBROOGCV-IGSBTCBBSA-N
XLogP5.57
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 576249
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CID 102127552
(3S,4R)-1-benzyl-3-fluoro-3,4-diphenylazetidin-2-one
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(3S,4R)-1-benzyl-3-fluoro-3-(4-methylphenyl)-4-phenylazetidin-2-one
CID 122232904
(3S,4R)-1-benzyl-3-fluoro-3-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 122232907

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one (CID 101061737) is (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one is C[C@H](c1ccccc1)N1C(=O)[C@H](c2ccccc2)[C@H]1/C=N/[C@H](C)c1ccccc1.
What is the InChIKey of (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one?
The InChIKey is MWTQXDSBROOGCV-IGSBTCBBSA-N. The full InChI is InChI=1S/C26H26N2O/c1-19(21-12-6-3-7-13-21)27-18-24-25(23-16-10-5-11-17-23)26(29)28(24)20(2)22-14-8-4-9-15-22/h3-20,24-25H,1-2H3/b27-18+/t19-,20-,24-,25-/m1/s1.
What are the key properties of (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one?
(3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one has a molecular weight of 382.51 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-phenyl-1-[(1R)-1-phenylethyl]-4-[[(1R)-1-phenylethyl]iminomethyl]azetidin-2-one is sourced from PubChem (CID 101061737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).