N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide

C18H22N2O3 — CID 46884552

IUPACN-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide
SMILESCOc1ccc(OCc2ccccn2)c(CCCNC(C)=O)c1
InChIInChI=1S/C18H22N2O3/c1-14(21)19-11-5-6-15-12-17(22-2)8-9-18(15)23-13-16-7-3-4-10-20-16/h3-4,7-10,12H,5-6,11,13H2,1-2H3,(H,19,21)
InChIKeyNCALHGWOQMIBAA-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.74
Rot. Bonds8

About N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide

N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide (PubChem CID 46884552) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide
PubChem CID46884552
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide
SMILESCOc1ccc(OCc2ccccn2)c(CCCNC(C)=O)c1
InChIInChI=1S/C18H22N2O3/c1-14(21)19-11-5-6-15-12-17(22-2)8-9-18(15)23-13-16-7-3-4-10-20-16/h3-4,7-10,12H,5-6,11,13H2,1-2H3,(H,19,21)
InChIKeyNCALHGWOQMIBAA-UHFFFAOYSA-N
XLogP2.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide?
The IUPAC name of N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide (CID 46884552) is N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide is COc1ccc(OCc2ccccn2)c(CCCNC(C)=O)c1.
What is the InChIKey of N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide?
The InChIKey is NCALHGWOQMIBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14(21)19-11-5-6-15-12-17(22-2)8-9-18(15)23-13-16-7-3-4-10-20-16/h3-4,7-10,12H,5-6,11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide?
N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide is sourced from PubChem (CID 46884552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).