2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide

C17H26ClN3O2 — CID 83979862

IUPAC2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide
SMILESCCOc1ccc(C(C(=O)N(C)C)N2CCNC(C)C2)cc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-5-23-15-7-6-13(10-14(15)18)16(17(22)20(3)4)21-9-8-19-12(2)11-21/h6-7,10,12,16,19H,5,8-9,11H2,1-4H3
InChIKeyBJMJHSWEMWNJCQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.16
Rot. Bonds5

About 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide

2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 83979862) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID83979862
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide
SMILESCCOc1ccc(C(C(=O)N(C)C)N2CCNC(C)C2)cc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-5-23-15-7-6-13(10-14(15)18)16(17(22)20(3)4)21-9-8-19-12(2)11-21/h6-7,10,12,16,19H,5,8-9,11H2,1-4H3
InChIKeyBJMJHSWEMWNJCQ-UHFFFAOYSA-N
XLogP2.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979858
N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 83978117
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
2-(2-chloro-3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979245
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610
1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5216730
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide (CID 83979862) is 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide is CCOc1ccc(C(C(=O)N(C)C)N2CCNC(C)C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is BJMJHSWEMWNJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-5-23-15-7-6-13(10-14(15)18)16(17(22)20(3)4)21-9-8-19-12(2)11-21/h6-7,10,12,16,19H,5,8-9,11H2,1-4H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide?
2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 339.87 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 83979862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).