(3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone

C17H23NO4 — CID 126811108

IUPAC(3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone
SMILESCOc1ccc(C(=O)N2CC(C3CCC3)C2)cc1OCCO
InChIInChI=1S/C17H23NO4/c1-21-15-6-5-13(9-16(15)22-8-7-19)17(20)18-10-14(11-18)12-3-2-4-12/h5-6,9,12,14,19H,2-4,7-8,10-11H2,1H3
InChIKeyJUELOZJHOOPCNW-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.94
Rot. Bonds6

About (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone

(3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone (PubChem CID 126811108) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone.

Molecular Properties

Compound Name(3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone
PubChem CID126811108
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone
SMILESCOc1ccc(C(=O)N2CC(C3CCC3)C2)cc1OCCO
InChIInChI=1S/C17H23NO4/c1-21-15-6-5-13(9-16(15)22-8-7-19)17(20)18-10-14(11-18)12-3-2-4-12/h5-6,9,12,14,19H,2-4,7-8,10-11H2,1H3
InChIKeyJUELOZJHOOPCNW-UHFFFAOYSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[1-(3,4-dimethoxybenzoyl)azetidin-3-yl]acetic acid
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(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
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CID 9295714
[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone
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(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
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[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(4-methoxy-3-prop-2-ynoxyphenyl)methanone
CID 135091856
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone?
The IUPAC name of (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone (CID 126811108) is (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone.
What is the SMILES notation for (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone?
The canonical SMILES for (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone is COc1ccc(C(=O)N2CC(C3CCC3)C2)cc1OCCO.
What is the InChIKey of (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone?
The InChIKey is JUELOZJHOOPCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-21-15-6-5-13(9-16(15)22-8-7-19)17(20)18-10-14(11-18)12-3-2-4-12/h5-6,9,12,14,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone?
(3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone has a molecular weight of 305.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylazetidin-1-yl)-[3-(2-hydroxyethoxy)-4-methoxyphenyl]methanone is sourced from PubChem (CID 126811108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).