N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

C21H26N2O3 — CID 123555174

IUPACN-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCOc1cccc(N2CC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c1
InChIInChI=1S/C21H26N2O3/c1-4-25-20-7-5-6-18(12-20)23-13-21(14-23)26-19-10-8-17(9-11-19)15(2)22-16(3)24/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyWGURCWSGJJRQIH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.55
Rot. Bonds7

About N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123555174) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123555174
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCCOc1cccc(N2CC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c1
InChIInChI=1S/C21H26N2O3/c1-4-25-20-7-5-6-18(12-20)23-13-21(14-23)26-19-10-8-17(9-11-19)15(2)22-16(3)24/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyWGURCWSGJJRQIH-UHFFFAOYSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123555174) is N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is CCOc1cccc(N2CC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c1.
What is the InChIKey of N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is WGURCWSGJJRQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-25-20-7-5-6-18(12-20)23-13-21(14-23)26-19-10-8-17(9-11-19)15(2)22-16(3)24/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123555174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).