3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide

C23H24N2O4 — CID 55912136

IUPAC3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
SMILESCCOc1cccc(C(=O)NCc2ccc(OCc3ccncc3)c(OC)c2)c1
InChIInChI=1S/C23H24N2O4/c1-3-28-20-6-4-5-19(14-20)23(26)25-15-18-7-8-21(22(13-18)27-2)29-16-17-9-11-24-12-10-17/h4-14H,3,15-16H2,1-2H3,(H,25,26)
InChIKeyNCXJAVNPSDGQPZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.00
Rot. Bonds9

About 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide

3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55912136) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55912136
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
SMILESCCOc1cccc(C(=O)NCc2ccc(OCc3ccncc3)c(OC)c2)c1
InChIInChI=1S/C23H24N2O4/c1-3-28-20-6-4-5-19(14-20)23(26)25-15-18-7-8-21(22(13-18)27-2)29-16-17-9-11-24-12-10-17/h4-14H,3,15-16H2,1-2H3,(H,25,26)
InChIKeyNCXJAVNPSDGQPZ-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-4-(methoxysulfamoyl)benzamide
CID 55843428
4-butoxy-N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55843425
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
CID 55778341
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55845333

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide (CID 55912136) is 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide is CCOc1cccc(C(=O)NCc2ccc(OCc3ccncc3)c(OC)c2)c1.
What is the InChIKey of 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is NCXJAVNPSDGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-28-20-6-4-5-19(14-20)23(26)25-15-18-7-8-21(22(13-18)27-2)29-16-17-9-11-24-12-10-17/h4-14H,3,15-16H2,1-2H3,(H,25,26).
What are the key properties of 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55912136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).