(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone

C21H21NO3 — CID 97122316

IUPAC(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc([C@@H]2CCN2C(=O)c2oc3cc(C)ccc3c2C)c1
InChIInChI=1S/C21H21NO3/c1-13-7-8-17-14(2)20(25-19(17)11-13)21(23)22-10-9-18(22)15-5-4-6-16(12-15)24-3/h4-8,11-12,18H,9-10H2,1-3H3/t18-/m0/s1
InChIKeyFEYPVLFWPFJFPC-SFHVURJKSA-N
MW335.40 g/mol
LogP4.65
Rot. Bonds3

About (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone

(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone (PubChem CID 97122316) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
PubChem CID97122316
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc([C@@H]2CCN2C(=O)c2oc3cc(C)ccc3c2C)c1
InChIInChI=1S/C21H21NO3/c1-13-7-8-17-14(2)20(25-19(17)11-13)21(23)22-10-9-18(22)15-5-4-6-16(12-15)24-3/h4-8,11-12,18H,9-10H2,1-3H3/t18-/m0/s1
InChIKeyFEYPVLFWPFJFPC-SFHVURJKSA-N
XLogP4.65
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone 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

(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 95127124
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97145875
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 95146953
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35181036
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95121040
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 131949881
(3,6-dimethyl-1-benzofuran-2-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 97116953

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone (CID 97122316) is (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The canonical SMILES for (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone is COc1cccc([C@@H]2CCN2C(=O)c2oc3cc(C)ccc3c2C)c1.
What is the InChIKey of (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The InChIKey is FEYPVLFWPFJFPC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21NO3/c1-13-7-8-17-14(2)20(25-19(17)11-13)21(23)22-10-9-18(22)15-5-4-6-16(12-15)24-3/h4-8,11-12,18H,9-10H2,1-3H3/t18-/m0/s1.
What are the key properties of (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone has a molecular weight of 335.40 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 97122316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).