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

C24H26N2O3 — CID 45487723

IUPACN-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
SMILESCCCOc1ccc(Oc2ccc(-c3ccc([C@H](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)/t17-/m0/s1
InChIKeyLXMIRMYOAUVODD-KRWDZBQOSA-N
MW390.48 g/mol
LogP5.53
Rot. Bonds8

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

N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide (PubChem CID 45487723) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
PubChem CID45487723
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
SMILESCCCOc1ccc(Oc2ccc(-c3ccc([C@H](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)/t17-/m0/s1
InChIKeyLXMIRMYOAUVODD-KRWDZBQOSA-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-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide (CID 45487723) is N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide is CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(C)=O)cc3)cn2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
The InChIKey is LXMIRMYOAUVODD-KRWDZBQOSA-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)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide?
N-[(1S)-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-[(1S)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 45487723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).