N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide

C24H26N2O5 — CID 55887692

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cc(OC)c(C)c(OC)c3)ccn2)cc1
InChIInChI=1S/C24H26N2O5/c1-5-30-19-6-8-20(9-7-19)31-23-12-17(10-11-25-23)15-26-24(27)18-13-21(28-3)16(2)22(14-18)29-4/h6-14H,5,15H2,1-4H3,(H,26,27)
InChIKeyWDAGCBRWKHHZOE-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.53
Rot. Bonds9

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 55887692) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID55887692
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cc(OC)c(C)c(OC)c3)ccn2)cc1
InChIInChI=1S/C24H26N2O5/c1-5-30-19-6-8-20(9-7-19)31-23-12-17(10-11-25-23)15-26-24(27)18-13-21(28-3)16(2)22(14-18)29-4/h6-14H,5,15H2,1-4H3,(H,26,27)
InChIKeyWDAGCBRWKHHZOE-UHFFFAOYSA-N
XLogP4.53
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55887705
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
2-cyclohexyl-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 55887691
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide (CID 55887692) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide is CCOc1ccc(Oc2cc(CNC(=O)c3cc(OC)c(C)c(OC)c3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is WDAGCBRWKHHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-5-30-19-6-8-20(9-7-19)31-23-12-17(10-11-25-23)15-26-24(27)18-13-21(28-3)16(2)22(14-18)29-4/h6-14H,5,15H2,1-4H3,(H,26,27).
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 422.48 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 55887692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).