(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one

C27H29NO3 — CID 102000373

IUPAC(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](CCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29NO3/c1-30-23-16-12-21(13-17-23)26-25(11-7-6-10-20-8-4-3-5-9-20)27(29)28(26)22-14-18-24(31-2)19-15-22/h3-5,8-9,12-19,25-26H,6-7,10-11H2,1-2H3/t25-,26+/m1/s1
InChIKeyCBKVUMMWDHIQKE-FTJBHMTQSA-N
MW415.53 g/mol
LogP5.82
Rot. Bonds9

About (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one

(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one (PubChem CID 102000373) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
PubChem CID102000373
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](CCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29NO3/c1-30-23-16-12-21(13-17-23)26-25(11-7-6-10-20-8-4-3-5-9-20)27(29)28(26)22-14-18-24(31-2)19-15-22/h3-5,8-9,12-19,25-26H,6-7,10-11H2,1-2H3/t25-,26+/m1/s1
InChIKeyCBKVUMMWDHIQKE-FTJBHMTQSA-N
XLogP5.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
(3R,4S)-1-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10671216
(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-(4-prop-2-enoxyphenyl)azetidin-2-one
CID 10670168
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
(3R,4S)-1-(4-methoxyphenyl)-3-(3-phenylpropyl)-4-(4-piperazin-1-ylphenyl)azetidin-2-one
CID 54087118
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3S,4R)-4-(4-hydroxyphenyl)-3-[3-(4-iodophenyl)propyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 101159877
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860
(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10785566
(3R,4S)-3-[2-(benzenesulfonyl)ethyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10812133
(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 58890769
(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

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one?
The IUPAC name of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one (CID 102000373) is (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one is COc1ccc([C@H]2[C@@H](CCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one?
The InChIKey is CBKVUMMWDHIQKE-FTJBHMTQSA-N. The full InChI is InChI=1S/C27H29NO3/c1-30-23-16-12-21(13-17-23)26-25(11-7-6-10-20-8-4-3-5-9-20)27(29)28(26)22-14-18-24(31-2)19-15-22/h3-5,8-9,12-19,25-26H,6-7,10-11H2,1-2H3/t25-,26+/m1/s1.
What are the key properties of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one?
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one has a molecular weight of 415.53 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one is sourced from PubChem (CID 102000373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).