[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone

C25H26N2O3 — CID 59633910

IUPAC[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4ccccn4)C3)cc2OC)cc1
InChIInChI=1S/C25H26N2O3/c1-3-18-7-9-19(10-8-18)17-30-23-12-11-20(14-24(23)29-2)21-15-27(16-21)25(28)22-6-4-5-13-26-22/h4-14,21H,3,15-17H2,1-2H3
InChIKeyQDCGTTQHEDRTLV-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.47
Rot. Bonds7

About [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone

[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 59633910) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID59633910
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4ccccn4)C3)cc2OC)cc1
InChIInChI=1S/C25H26N2O3/c1-3-18-7-9-19(10-8-18)17-30-23-12-11-20(14-24(23)29-2)21-15-27(16-21)25(28)22-6-4-5-13-26-22/h4-14,21H,3,15-17H2,1-2H3
InChIKeyQDCGTTQHEDRTLV-UHFFFAOYSA-N
XLogP4.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone (CID 59633910) is [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone is CCc1ccc(COc2ccc(C3CN(C(=O)c4ccccn4)C3)cc2OC)cc1.
What is the InChIKey of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is QDCGTTQHEDRTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-18-7-9-19(10-8-18)17-30-23-12-11-20(14-24(23)29-2)21-15-27(16-21)25(28)22-6-4-5-13-26-22/h4-14,21H,3,15-17H2,1-2H3.
What are the key properties of [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone?
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 402.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 59633910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).