N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide

C17H23N3O3 — CID 19243480

IUPACN,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C(C)CN(C=O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-18(5-2)16(22)11-20-15-9-7-6-8-14(15)19(12-21)10-13(3)17(20)23/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyOAJDHGUXDYNTQA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.50
Rot. Bonds5

About N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide

N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide (PubChem CID 19243480) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide
PubChem CID19243480
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C(C)CN(C=O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-18(5-2)16(22)11-20-15-9-7-6-8-14(15)19(12-21)10-13(3)17(20)23/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyOAJDHGUXDYNTQA-UHFFFAOYSA-N
XLogP1.50
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide (CID 19243480) is N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide is CCN(CC)C(=O)CN1C(=O)C(C)CN(C=O)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide?
The InChIKey is OAJDHGUXDYNTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-18(5-2)16(22)11-20-15-9-7-6-8-14(15)19(12-21)10-13(3)17(20)23/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide?
N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-formyl-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetamide is sourced from PubChem (CID 19243480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).