N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide

C24H26N2O3 — CID 45487734

IUPACN-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
SMILESCCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cn2)cc1
InChIInChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)
InChIKeyLXMIRMYOAUVODD-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.53
Rot. Bonds8

About N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide

N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide (PubChem CID 45487734) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
PubChem CID45487734
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
SMILESCCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cn2)cc1
InChIInChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27)
InChIKeyLXMIRMYOAUVODD-UHFFFAOYSA-N
XLogP5.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide (CID 45487734) is N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide is CCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(C)=O)cc3)cn2)cc1.
What is the InChIKey of N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
The InChIKey is LXMIRMYOAUVODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-15-28-22-10-12-23(13-11-22)29-24-14-9-21(16-25-24)20-7-5-19(6-8-20)17(2)26-18(3)27/h5-14,16-17H,4,15H2,1-3H3,(H,26,27).
What are the key properties of N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 45487734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).