N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide

C17H26ClN3O2 — CID 109016754

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESO=C(CCNCCN1CCOCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c18-16-3-1-2-15(14-16)4-7-20-17(22)5-6-19-8-9-21-10-12-23-13-11-21/h1-3,14,19H,4-13H2,(H,20,22)
InChIKeyVGJUWMZYWHXNNC-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.31
Rot. Bonds9

About N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide

N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016754) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016754
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESO=C(CCNCCN1CCOCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c18-16-3-1-2-15(14-16)4-7-20-17(22)5-6-19-8-9-21-10-12-23-13-11-21/h1-3,14,19H,4-13H2,(H,20,22)
InChIKeyVGJUWMZYWHXNNC-UHFFFAOYSA-N
XLogP1.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.31
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

2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea
CID 99816188
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42810075

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016754) is N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide is O=C(CCNCCN1CCOCC1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is VGJUWMZYWHXNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c18-16-3-1-2-15(14-16)4-7-20-17(22)5-6-19-8-9-21-10-12-23-13-11-21/h1-3,14,19H,4-13H2,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide has a molecular weight of 339.87 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).