4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide

C22H28N2O4 — CID 24655945

IUPAC4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccc(CNC(C)=O)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-5-24(15-18-9-12-20(28-6-2)21(13-18)27-4)22(26)19-10-7-17(8-11-19)14-23-16(3)25/h7-13H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyUSMRLCZZJLXLGQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.39
Rot. Bonds9

About 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide

4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide (PubChem CID 24655945) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
PubChem CID24655945
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccc(CNC(C)=O)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-5-24(15-18-9-12-20(28-6-2)21(13-18)27-4)22(26)19-10-7-17(8-11-19)14-23-16(3)25/h7-13H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyUSMRLCZZJLXLGQ-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24655921
4-bromo-3-(dimethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655936
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide
CID 155945610
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide (CID 24655945) is 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide is CCOc1ccc(CN(CC)C(=O)c2ccc(CNC(C)=O)cc2)cc1OC.
What is the InChIKey of 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
The InChIKey is USMRLCZZJLXLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-24(15-18-9-12-20(28-6-2)21(13-18)27-4)22(26)19-10-7-17(8-11-19)14-23-16(3)25/h7-13H,5-6,14-15H2,1-4H3,(H,23,25).
What are the key properties of 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide?
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 24655945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).