N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide

C22H27F3N2O3 — CID 55931191

IUPACN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C22H27F3N2O3/c1-4-27(5-2)12-13-30-19-11-6-16(14-20(19)29-3)15-26-21(28)17-7-9-18(10-8-17)22(23,24)25/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,28)
InChIKeyYLZCYUCSSRGGTQ-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.36
Rot. Bonds10

About N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 55931191) has the molecular formula C22H27F3N2O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID55931191
Molecular FormulaC22H27F3N2O3
Molecular Weight424.46 g/mol
Exact Mass424.20
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C22H27F3N2O3/c1-4-27(5-2)12-13-30-19-11-6-16(14-20(19)29-3)15-26-21(28)17-7-9-18(10-8-17)22(23,24)25/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,28)
InChIKeyYLZCYUCSSRGGTQ-UHFFFAOYSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55931330
2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55931317
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60547647
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55660672
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide (CID 55931191) is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide is CCN(CC)CCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1OC.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YLZCYUCSSRGGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O3/c1-4-27(5-2)12-13-30-19-11-6-16(14-20(19)29-3)15-26-21(28)17-7-9-18(10-8-17)22(23,24)25/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,28).
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 55931191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).