N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide

C14H19N3O3 — CID 65361308

IUPACN-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CNCc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-20-7-6-16-13(18)10-17-12-5-3-2-4-11(12)8-15-9-14(17)19/h2-5,15H,6-10H2,1H3,(H,16,18)
InChIKeyGROXVYVKRKRXLO-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.11
Rot. Bonds5

About N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide

N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 65361308) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID65361308
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CNCc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-20-7-6-16-13(18)10-17-12-5-3-2-4-11(12)8-15-9-14(17)19/h2-5,15H,6-10H2,1H3,(H,16,18)
InChIKeyGROXVYVKRKRXLO-UHFFFAOYSA-N
XLogP-0.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-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-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide (CID 65361308) is N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide is COCCNC(=O)CN1C(=O)CNCc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is GROXVYVKRKRXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-7-6-16-13(18)10-17-12-5-3-2-4-11(12)8-15-9-14(17)19/h2-5,15H,6-10H2,1H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 65361308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).