2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide

C17H24N4O4 — CID 72863820

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
SMILESCCN1CCN(CC(=O)N(C)Cc2noc3c2CCCC3)C(=O)C1=O
InChIInChI=1S/C17H24N4O4/c1-3-20-8-9-21(17(24)16(20)23)11-15(22)19(2)10-13-12-6-4-5-7-14(12)25-18-13/h3-11H2,1-2H3
InChIKeyQASVRIRLCUGUDP-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.20
Rot. Bonds5

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide (PubChem CID 72863820) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
PubChem CID72863820
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
SMILESCCN1CCN(CC(=O)N(C)Cc2noc3c2CCCC3)C(=O)C1=O
InChIInChI=1S/C17H24N4O4/c1-3-20-8-9-21(17(24)16(20)23)11-15(22)19(2)10-13-12-6-4-5-7-14(12)25-18-13/h3-11H2,1-2H3
InChIKeyQASVRIRLCUGUDP-UHFFFAOYSA-N
XLogP0.20
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)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-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide (CID 72863820) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide is CCN1CCN(CC(=O)N(C)Cc2noc3c2CCCC3)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
The InChIKey is QASVRIRLCUGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-20-8-9-21(17(24)16(20)23)11-15(22)19(2)10-13-12-6-4-5-7-14(12)25-18-13/h3-11H2,1-2H3.
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 72863820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).