2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide

C16H22Cl2N2O3 — CID 5020355

IUPAC2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H22Cl2N2O3/c1-12(23-15-4-3-13(17)11-14(15)18)16(21)19-5-2-6-20-7-9-22-10-8-20/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyBGGXVHQPLRQNGN-UHFFFAOYSA-N
MW361.27 g/mol
LogP2.60
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide

2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 5020355) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID5020355
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H22Cl2N2O3/c1-12(23-15-4-3-13(17)11-14(15)18)16(21)19-5-2-6-20-7-9-22-10-8-20/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
InChIKeyBGGXVHQPLRQNGN-UHFFFAOYSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
Plafibride
CID 68822
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 69117064
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
CID 3614497
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714
2-(2-Chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 6467230
4-(2,4-dichlorophenoxy)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2843381
1-((2-Chlorophenoxy)acetyl)piperazine
CID 3481726

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide (CID 5020355) is 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is BGGXVHQPLRQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-12(23-15-4-3-13(17)11-14(15)18)16(21)19-5-2-6-20-7-9-22-10-8-20/h3-4,11-12H,2,5-10H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 361.27 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 5020355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).