2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

C17H24Cl2N2O2 — CID 55520442

IUPAC2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)Cc1c(Cl)cccc1Cl)N1CCOCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-12(2)16(21-6-8-23-9-7-21)11-20-17(22)10-13-14(18)4-3-5-15(13)19/h3-5,12,16H,6-11H2,1-2H3,(H,20,22)
InChIKeyGIRYPSNOWWWNJZ-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.01
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (PubChem CID 55520442) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
PubChem CID55520442
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)Cc1c(Cl)cccc1Cl)N1CCOCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-12(2)16(21-6-8-23-9-7-21)11-20-17(22)10-13-14(18)4-3-5-15(13)19/h3-5,12,16H,6-11H2,1-2H3,(H,20,22)
InChIKeyGIRYPSNOWWWNJZ-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (CID 55520442) is 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is CC(C)C(CNC(=O)Cc1c(Cl)cccc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The InChIKey is GIRYPSNOWWWNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-12(2)16(21-6-8-23-9-7-21)11-20-17(22)10-13-14(18)4-3-5-15(13)19/h3-5,12,16H,6-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide has a molecular weight of 359.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 55520442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).