2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide

C17H25ClN2O3 — CID 2995844

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1cc(OC(C)C(=O)NCCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-13-12-15(4-5-16(13)18)23-14(2)17(21)19-6-3-7-20-8-10-22-11-9-20/h4-5,12,14H,3,6-11H2,1-2H3,(H,19,21)
InChIKeyNWUDGSCLOSNQBH-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.25
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide

2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 2995844) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID2995844
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1cc(OC(C)C(=O)NCCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-13-12-15(4-5-16(13)18)23-14(2)17(21)19-6-3-7-20-8-10-22-11-9-20/h4-5,12,14H,3,6-11H2,1-2H3,(H,19,21)
InChIKeyNWUDGSCLOSNQBH-UHFFFAOYSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide (CID 2995844) is 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide is Cc1cc(OC(C)C(=O)NCCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is NWUDGSCLOSNQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-13-12-15(4-5-16(13)18)23-14(2)17(21)19-6-3-7-20-8-10-22-11-9-20/h4-5,12,14H,3,6-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 340.85 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 2995844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).