N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide

C18H26N2O3 — CID 91907751

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O3/c21-18(13-15-5-9-22-10-6-15)19-14-16-1-3-17(4-2-16)20-7-11-23-12-8-20/h1-4,15H,5-14H2,(H,19,21)
InChIKeyZJDQSLCJLLSLBU-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.96
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide

N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 91907751) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID91907751
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O3/c21-18(13-15-5-9-22-10-6-15)19-14-16-1-3-17(4-2-16)20-7-11-23-12-8-20/h1-4,15H,5-14H2,(H,19,21)
InChIKeyZJDQSLCJLLSLBU-UHFFFAOYSA-N
XLogP1.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide 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-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide (CID 91907751) is N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is ZJDQSLCJLLSLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(13-15-5-9-22-10-6-15)19-14-16-1-3-17(4-2-16)20-7-11-23-12-8-20/h1-4,15H,5-14H2,(H,19,21).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide?
N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 91907751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).