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

C14H19N3O3 — CID 69348838

IUPACN-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide
SMILESCOCCNC(=O)CN1Cc2ccccc2NCC1=O
InChIInChI=1S/C14H19N3O3/c1-20-7-6-15-13(18)10-17-9-11-4-2-3-5-12(11)16-8-14(17)19/h2-5,16H,6-10H2,1H3,(H,15,18)
InChIKeyNOLWEBPWLLSKOL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.20
Rot. Bonds5

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

N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide (PubChem CID 69348838) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide
PubChem CID69348838
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide
SMILESCOCCNC(=O)CN1Cc2ccccc2NCC1=O
InChIInChI=1S/C14H19N3O3/c1-20-7-6-15-13(18)10-17-9-11-4-2-3-5-12(11)16-8-14(17)19/h2-5,16H,6-10H2,1H3,(H,15,18)
InChIKeyNOLWEBPWLLSKOL-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide (CID 69348838) is N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide is COCCNC(=O)CN1Cc2ccccc2NCC1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide?
The InChIKey is NOLWEBPWLLSKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-7-6-15-13(18)10-17-9-11-4-2-3-5-12(11)16-8-14(17)19/h2-5,16H,6-10H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide?
N-(2-methoxyethyl)-2-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.20, 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-(3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetamide is sourced from PubChem (CID 69348838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).