[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone

C22H24N2O2 — CID 97145875

IUPAC[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCOc1cccc([C@@H]2CCN2C(=O)c2[nH]c3c(C)ccc(C)c3c2C)c1
InChIInChI=1S/C22H24N2O2/c1-13-8-9-14(2)20-19(13)15(3)21(23-20)22(25)24-11-10-18(24)16-6-5-7-17(12-16)26-4/h5-9,12,18,23H,10-11H2,1-4H3/t18-/m0/s1
InChIKeyHPMCFJSDHNFOTH-SFHVURJKSA-N
MW348.45 g/mol
LogP4.69
Rot. Bonds3

About [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone

[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (PubChem CID 97145875) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
PubChem CID97145875
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCOc1cccc([C@@H]2CCN2C(=O)c2[nH]c3c(C)ccc(C)c3c2C)c1
InChIInChI=1S/C22H24N2O2/c1-13-8-9-14(2)20-19(13)15(3)21(23-20)22(25)24-11-10-18(24)16-6-5-7-17(12-16)26-4/h5-9,12,18,23H,10-11H2,1-4H3/t18-/m0/s1
InChIKeyHPMCFJSDHNFOTH-SFHVURJKSA-N
XLogP4.69
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 42895108
(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
1H-benzimidazol-2-yl-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451843
1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451844
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 97122316
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92626259
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 95127124
[6-(methoxymethyl)-2-pyridinyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 74235529
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97454861

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (CID 97145875) is [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is COc1cccc([C@@H]2CCN2C(=O)c2[nH]c3c(C)ccc(C)c3c2C)c1.
What is the InChIKey of [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The InChIKey is HPMCFJSDHNFOTH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-13-8-9-14(2)20-19(13)15(3)21(23-20)22(25)24-11-10-18(24)16-6-5-7-17(12-16)26-4/h5-9,12,18,23H,10-11H2,1-4H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 97145875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).