2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide

C25H28N2O4 — CID 30610439

IUPAC2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C25H28N2O4/c1-3-30-24-15-20(17-26-16-19-9-12-22(29-2)13-10-19)11-14-23(24)31-18-25(28)27-21-7-5-4-6-8-21/h4-15,26H,3,16-18H2,1-2H3,(H,27,28)
InChIKeyGQKHWFAURWJTFS-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.40
Rot. Bonds11

About 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide

2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide (PubChem CID 30610439) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
PubChem CID30610439
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C25H28N2O4/c1-3-30-24-15-20(17-26-16-19-9-12-22(29-2)13-10-19)11-14-23(24)31-18-25(28)27-21-7-5-4-6-8-21/h4-15,26H,3,16-18H2,1-2H3,(H,27,28)
InChIKeyGQKHWFAURWJTFS-UHFFFAOYSA-N
XLogP4.40
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30614052
N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy]acetamide
CID 5034754
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 2959909
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 71908285
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 29228432
2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 60590256

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide (CID 30610439) is 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide is CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide?
The InChIKey is GQKHWFAURWJTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-30-24-15-20(17-26-16-19-9-12-22(29-2)13-10-19)11-14-23(24)31-18-25(28)27-21-7-5-4-6-8-21/h4-15,26H,3,16-18H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide?
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide has a molecular weight of 420.51 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 30610439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).