formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine

C20H25NO5 — CID 154915892

IUPACformic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine
SMILESCOc1cccc(OCCN2CC(Oc3cccc(C)c3)C2)c1.O=CO
InChIInChI=1S/C19H23NO3.CH2O2/c1-15-5-3-8-18(11-15)23-19-13-20(14-19)9-10-22-17-7-4-6-16(12-17)21-2;2-1-3/h3-8,11-12,19H,9-10,13-14H2,1-2H3;1H,(H,2,3)
InChIKeyGBXANJSDEGEIAB-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.85
Rot. Bonds7

About formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine

formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine (PubChem CID 154915892) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine.

Molecular Properties

Compound Nameformic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine
PubChem CID154915892
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Nameformic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine
SMILESCOc1cccc(OCCN2CC(Oc3cccc(C)c3)C2)c1.O=CO
InChIInChI=1S/C19H23NO3.CH2O2/c1-15-5-3-8-18(11-15)23-19-13-20(14-19)9-10-22-17-7-4-6-16(12-17)21-2;2-1-3/h3-8,11-12,19H,9-10,13-14H2,1-2H3;1H,(H,2,3)
InChIKeyGBXANJSDEGEIAB-UHFFFAOYSA-N
XLogP2.85
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(3-methylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116684269
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
5-[2-(3-methylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916021
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide
CID 154739482
3-(3-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 110409956
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
formic acid;N-(2-hydroxyethyl)-4-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-3-yl]methyl]benzamide
CID 171710838
4-methyl-1-[3-(3-methylphenoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63721052

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine?
The IUPAC name of formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine (CID 154915892) is formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine.
What is the SMILES notation for formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine?
The canonical SMILES for formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine is COc1cccc(OCCN2CC(Oc3cccc(C)c3)C2)c1.O=CO.
What is the InChIKey of formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine?
The InChIKey is GBXANJSDEGEIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3.CH2O2/c1-15-5-3-8-18(11-15)23-19-13-20(14-19)9-10-22-17-7-4-6-16(12-17)21-2;2-1-3/h3-8,11-12,19H,9-10,13-14H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine?
formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine has a molecular weight of 359.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine is sourced from PubChem (CID 154915892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).