N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C17H23ClN2O3 — CID 113123192

IUPACN-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)CCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-14(21)19(7-5-15-3-2-4-16(18)13-15)8-6-17(22)20-9-11-23-12-10-20/h2-4,13H,5-12H2,1H3
InChIKeyVHODREZLIXIEIL-UHFFFAOYSA-N
MW338.83 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 113123192) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID113123192
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)CCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O3/c1-14(21)19(7-5-15-3-2-4-16(18)13-15)8-6-17(22)20-9-11-23-12-10-20/h2-4,13H,5-12H2,1H3
InChIKeyVHODREZLIXIEIL-UHFFFAOYSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141390
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113121873
N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
N-[2-(3-chlorophenyl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113166895
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113120031
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
N-(3,5-dichlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113134062
1-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452318
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 113123192) is N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is CC(=O)N(CCC(=O)N1CCOCC1)CCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is VHODREZLIXIEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-14(21)19(7-5-15-3-2-4-16(18)13-15)8-6-17(22)20-9-11-23-12-10-20/h2-4,13H,5-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 338.83 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 113123192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).