2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide

C16H24ClN3O2 — CID 108994936

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CNCCc1cccc(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C16H24ClN3O2/c17-15-3-1-2-14(12-15)4-5-18-13-16(21)19-6-7-20-8-10-22-11-9-20/h1-3,12,18H,4-11,13H2,(H,19,21)
InChIKeyOJROEJLJLCLAPI-UHFFFAOYSA-N
MW325.84 g/mol
LogP0.92
Rot. Bonds8

About 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 108994936) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID108994936
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CNCCc1cccc(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C16H24ClN3O2/c17-15-3-1-2-14(12-15)4-5-18-13-16(21)19-6-7-20-8-10-22-11-9-20/h1-3,12,18H,4-11,13H2,(H,19,21)
InChIKeyOJROEJLJLCLAPI-UHFFFAOYSA-N
XLogP0.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944127
1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 108994936) is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide is O=C(CNCCc1cccc(Cl)c1)NCCN1CCOCC1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is OJROEJLJLCLAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c17-15-3-1-2-14(12-15)4-5-18-13-16(21)19-6-7-20-8-10-22-11-9-20/h1-3,12,18H,4-11,13H2,(H,19,21).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 325.84 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 108994936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).