1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one

C15H20N2O2 — CID 4022666

IUPAC1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC(=O)N1CCC(=O)N(CC(C)C)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-11(2)10-17-14-7-5-4-6-13(14)16(12(3)18)9-8-15(17)19/h4-7,11H,8-10H2,1-3H3
InChIKeyOPUBMWPDLRUQAR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.43
Rot. Bonds2

About 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one

1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 4022666) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID4022666
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC(=O)N1CCC(=O)N(CC(C)C)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-11(2)10-17-14-7-5-4-6-13(14)16(12(3)18)9-8-15(17)19/h4-7,11H,8-10H2,1-3H3
InChIKeyOPUBMWPDLRUQAR-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 702392
1-acetyl-5-benzoyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 702388
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4048075
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
5-(2-hydroxy-3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 113366563
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
2-[6-[1-(4-aminobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]hexyl]isoindole-1,3-dione
CID 22405177
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
5-ethyl-1-(2-hydroxypropyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70656620

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one (CID 4022666) is 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one is CC(=O)N1CCC(=O)N(CC(C)C)c2ccccc21.
What is the InChIKey of 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is OPUBMWPDLRUQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)10-17-14-7-5-4-6-13(14)16(12(3)18)9-8-15(17)19/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one?
1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(2-methylpropyl)-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 4022666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).