N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide

C16H23N3O4 — CID 831396

IUPACN-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)CN1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-12(20)18-14-3-4-15(22-2)13(9-14)10-17-16(21)11-19-5-7-23-8-6-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySYBCUOXUTNMRLI-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.60
Rot. Bonds6

About N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide

N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide (PubChem CID 831396) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
PubChem CID831396
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)CN1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-12(20)18-14-3-4-15(22-2)13(9-14)10-17-16(21)11-19-5-7-23-8-6-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeySYBCUOXUTNMRLI-UHFFFAOYSA-N
XLogP0.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide 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-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide (CID 831396) is N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide is COc1ccc(NC(C)=O)cc1CNC(=O)CN1CCOCC1.
What is the InChIKey of N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
The InChIKey is SYBCUOXUTNMRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12(20)18-14-3-4-15(22-2)13(9-14)10-17-16(21)11-19-5-7-23-8-6-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide?
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide has a molecular weight of 321.38 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetamido-2-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 831396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).