2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide

C21H27ClN2O4 — CID 27122687

IUPAC2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CCOc2ccccc2Cl)cc1OCC
InChIInChI=1S/C21H27ClN2O4/c1-4-26-19-11-10-16(14-20(19)27-5-2)23-21(25)15-24(3)12-13-28-18-9-7-6-8-17(18)22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyOIEYATKNMRCHMN-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.09
Rot. Bonds11

About 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide

2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide (PubChem CID 27122687) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
PubChem CID27122687
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Name2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CCOc2ccccc2Cl)cc1OCC
InChIInChI=1S/C21H27ClN2O4/c1-4-26-19-11-10-16(14-20(19)27-5-2)23-21(25)15-24(3)12-13-28-18-9-7-6-8-17(18)22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyOIEYATKNMRCHMN-UHFFFAOYSA-N
XLogP4.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302921
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24561001
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381
2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
CID 7466998
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
N-(4-acetamido-3-chlorophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 25470676
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 31186118
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide (CID 27122687) is 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)CCOc2ccccc2Cl)cc1OCC.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The InChIKey is OIEYATKNMRCHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-4-26-19-11-10-16(14-20(19)27-5-2)23-21(25)15-24(3)12-13-28-18-9-7-6-8-17(18)22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 27122687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).