N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide

C13H20N4O2 — CID 56889648

IUPACN-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide
SMILESCC(C)CNC(=O)C(=O)N1CCCn2cncc2C1
InChIInChI=1S/C13H20N4O2/c1-10(2)6-15-12(18)13(19)16-4-3-5-17-9-14-7-11(17)8-16/h7,9-10H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyGFYBNKUZDKTQFW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.39
Rot. Bonds2

About N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide

N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide (PubChem CID 56889648) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide
PubChem CID56889648
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide
SMILESCC(C)CNC(=O)C(=O)N1CCCn2cncc2C1
InChIInChI=1S/C13H20N4O2/c1-10(2)6-15-12(18)13(19)16-4-3-5-17-9-14-7-11(17)8-16/h7,9-10H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyGFYBNKUZDKTQFW-UHFFFAOYSA-N
XLogP0.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-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-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide (CID 56889648) is N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide is CC(C)CNC(=O)C(=O)N1CCCn2cncc2C1.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide?
The InChIKey is GFYBNKUZDKTQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)6-15-12(18)13(19)16-4-3-5-17-9-14-7-11(17)8-16/h7,9-10H,3-6,8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide?
N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)acetamide is sourced from PubChem (CID 56889648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).