N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide

C17H26N2O3 — CID 2930785

IUPACN-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-2-16(22-15-7-4-3-5-8-15)17(20)18-9-6-10-19-11-13-21-14-12-19/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,18,20)
InChIKeyIFJRSAFWRBMUOI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.68
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide

N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide (PubChem CID 2930785) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide
PubChem CID2930785
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-2-16(22-15-7-4-3-5-8-15)17(20)18-9-6-10-19-11-13-21-14-12-19/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,18,20)
InChIKeyIFJRSAFWRBMUOI-UHFFFAOYSA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide 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 N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide (CID 2930785) is N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide?
The InChIKey is IFJRSAFWRBMUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-16(22-15-7-4-3-5-8-15)17(20)18-9-6-10-19-11-13-21-14-12-19/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,18,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide?
N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide has a molecular weight of 306.41 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-phenoxybutanamide is sourced from PubChem (CID 2930785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).