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

C21H27ClN2O4 — CID 4830299

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H27ClN2O4/c1-24(12-13-28-18-7-5-17(22)6-8-18)15-21(25)23-11-10-16-4-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,25)
InChIKeySDPYMNOHYXXARX-UHFFFAOYSA-N
MW406.91 g/mol
LogP3.03
Rot. Bonds11

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

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 4830299) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID4830299
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H27ClN2O4/c1-24(12-13-28-18-7-5-17(22)6-8-18)15-21(25)23-11-10-16-4-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,25)
InChIKeySDPYMNOHYXXARX-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27250281
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26512399
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26515600
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375557
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46614542

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 4830299) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is SDPYMNOHYXXARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-24(12-13-28-18-7-5-17(22)6-8-18)15-21(25)23-11-10-16-4-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 406.91 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 4830299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).