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

C19H23ClN2O4 — CID 2540045

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H23ClN2O4/c1-22(10-11-26-16-7-4-14(20)5-8-16)13-19(23)21-15-6-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyBBNBDAVEIWUTFM-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.31
Rot. Bonds9

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

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2540045) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2540045
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H23ClN2O4/c1-22(10-11-26-16-7-4-14(20)5-8-16)13-19(23)21-15-6-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyBBNBDAVEIWUTFM-UHFFFAOYSA-N
XLogP3.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide (CID 2540045) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BBNBDAVEIWUTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-22(10-11-26-16-7-4-14(20)5-8-16)13-19(23)21-15-6-9-17(24-2)18(12-15)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 378.86 g/mol, XLogP of 3.31, 9 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-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2540045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).