3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide

C23H24N2O4 — CID 43069846

IUPAC3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-20-9-5-17(6-10-20)7-12-23(26)25-19-8-11-21(28-2)22(14-19)29-16-18-4-3-13-24-15-18/h3-6,8-11,13-15H,7,12,16H2,1-2H3,(H,25,26)
InChIKeyILKVDLBQXJTLHZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.25
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide

3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide (PubChem CID 43069846) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
PubChem CID43069846
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-20-9-5-17(6-10-20)7-12-23(26)25-19-8-11-21(28-2)22(14-19)29-16-18-4-3-13-24-15-18/h3-6,8-11,13-15H,7,12,16H2,1-2H3,(H,25,26)
InChIKeyILKVDLBQXJTLHZ-UHFFFAOYSA-N
XLogP4.25
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide (CID 43069846) is 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide?
The InChIKey is ILKVDLBQXJTLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-20-9-5-17(6-10-20)7-12-23(26)25-19-8-11-21(28-2)22(14-19)29-16-18-4-3-13-24-15-18/h3-6,8-11,13-15H,7,12,16H2,1-2H3,(H,25,26).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 43069846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).