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

C20H21N3O3 — CID 4231220

IUPACN-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-26-12-11-21-18(24)14-23-17-10-6-5-9-16(17)20(22-13-19(23)25)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyHAGKBPXLRHMIEX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.63
Rot. Bonds6

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

N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 4231220) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID4231220
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-26-12-11-21-18(24)14-23-17-10-6-5-9-16(17)20(22-13-19(23)25)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyHAGKBPXLRHMIEX-UHFFFAOYSA-N
XLogP1.63
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-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

Related Compounds

L 365260
CID 5311201
7-Aminoflunitrazepam
CID 92294
RO-05-2921
CID 76175
7-Aminonitrazepam
CID 78641
1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 9953071
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 613848
1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 1108855
5-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13336285
7-Acetamidonitrazepam
CID 96190
7-Aminonimetazepam
CID 23275339
CID 104929
CID 104929

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 4231220) is N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is COCCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is HAGKBPXLRHMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-12-11-21-18(24)14-23-17-10-6-5-9-16(17)20(22-13-19(23)25)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 4231220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).