2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

C17H24ClN3O4 — CID 3238377

IUPAC2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(NC(=O)CNC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4/c1-3-25-10-4-9-19-17(24)16(13-5-7-14(18)8-6-13)21-15(23)11-20-12(2)22/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyQBQGZJINJNMLOJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP1.18
Rot. Bonds10

About 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide (PubChem CID 3238377) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
PubChem CID3238377
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Name2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(NC(=O)CNC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4/c1-3-25-10-4-9-19-17(24)16(13-5-7-14(18)8-6-13)21-15(23)11-20-12(2)22/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyQBQGZJINJNMLOJ-UHFFFAOYSA-N
XLogP1.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)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 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide (CID 3238377) is 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)C(NC(=O)CNC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is QBQGZJINJNMLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-3-25-10-4-9-19-17(24)16(13-5-7-14(18)8-6-13)21-15(23)11-20-12(2)22/h5-8,16H,3-4,9-11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide?
2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 369.85 g/mol, XLogP of 1.18, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 3238377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).