N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide

C24H25NO4 — CID 9468502

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(Oc3ccccc3)c2)cc1OC
InChIInChI=1S/C24H25NO4/c1-25(15-14-18-12-13-22(27-2)23(16-18)28-3)24(26)19-8-7-11-21(17-19)29-20-9-5-4-6-10-20/h4-13,16-17H,14-15H2,1-3H3
InChIKeyYWBAOPHFIWCQAF-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.81
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide (PubChem CID 9468502) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
PubChem CID9468502
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cccc(Oc3ccccc3)c2)cc1OC
InChIInChI=1S/C24H25NO4/c1-25(15-14-18-12-13-22(27-2)23(16-18)28-3)24(26)19-8-7-11-21(17-19)29-20-9-5-4-6-10-20/h4-13,16-17H,14-15H2,1-3H3
InChIKeyYWBAOPHFIWCQAF-UHFFFAOYSA-N
XLogP4.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 26826251
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9468496
3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26826237
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26826181
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26826321
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42774825

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide (CID 9468502) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide is COc1ccc(CCN(C)C(=O)c2cccc(Oc3ccccc3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide?
The InChIKey is YWBAOPHFIWCQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25(15-14-18-12-13-22(27-2)23(16-18)28-3)24(26)19-8-7-11-21(17-19)29-20-9-5-4-6-10-20/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide is sourced from PubChem (CID 9468502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).