methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate

C26H26N2O4 — CID 59633925

IUPACmethyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4ccccn4)C3)cc2C(=O)OC)cc1
InChIInChI=1S/C26H26N2O4/c1-3-18-7-9-19(10-8-18)17-32-24-12-11-20(14-22(24)26(30)31-2)21-15-28(16-21)25(29)23-6-4-5-13-27-23/h4-14,21H,3,15-17H2,1-2H3
InChIKeyDUYBKIGLHWKRIF-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.25
Rot. Bonds7

About methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate

methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate (PubChem CID 59633925) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate
PubChem CID59633925
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Namemethyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate
SMILESCCc1ccc(COc2ccc(C3CN(C(=O)c4ccccn4)C3)cc2C(=O)OC)cc1
InChIInChI=1S/C26H26N2O4/c1-3-18-7-9-19(10-8-18)17-32-24-12-11-20(14-22(24)26(30)31-2)21-15-28(16-21)25(29)23-6-4-5-13-27-23/h4-14,21H,3,15-17H2,1-2H3
InChIKeyDUYBKIGLHWKRIF-UHFFFAOYSA-N
XLogP4.25
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 59633916
[4-(1,3-dihydroxypropan-2-yl)-2-pyridinyl]-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]methanone
CID 59634121
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]-3-hydroxyazetidin-1-yl]-pyridin-2-ylmethanone
CID 59634109
methyl 5-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-2,2-dimethylpentanoate
CID 59633995
(2R,3S)-4-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-2,3-dihydroxybutanoic acid
CID 59634116
[4-[2-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-2-pyridinyl]-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]methanone;2-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]ethyl methanesulfonate
CID 159198097
[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone
CID 59633920
methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate
CID 57440694
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[4-hydroxy-3-(hydroxymethyl)butoxy]-2-pyridinyl]methanone
CID 59634117
4-[[2-[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-3-hydroxybutanoic acid
CID 59634058
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate?
The IUPAC name of methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate (CID 59633925) is methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate.
What is the SMILES notation for methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate?
The canonical SMILES for methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate is CCc1ccc(COc2ccc(C3CN(C(=O)c4ccccn4)C3)cc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate?
The InChIKey is DUYBKIGLHWKRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-3-18-7-9-19(10-8-18)17-32-24-12-11-20(14-22(24)26(30)31-2)21-15-28(16-21)25(29)23-6-4-5-13-27-23/h4-14,21H,3,15-17H2,1-2H3.
What are the key properties of methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate?
methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate has a molecular weight of 430.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate is sourced from PubChem (CID 59633925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).