4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C17H22N2O2 — CID 163292969

IUPAC4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC(=O)N1Cc2ccccc2NC(=O)C1C1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-12(20)19-11-14-9-5-6-10-15(14)18-17(21)16(19)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeySLOJDKZQXVYTGF-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.94
Rot. Bonds1

About 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 163292969) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID163292969
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC(=O)N1Cc2ccccc2NC(=O)C1C1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-12(20)19-11-14-9-5-6-10-15(14)18-17(21)16(19)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeySLOJDKZQXVYTGF-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 163292969) is 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CC(=O)N1Cc2ccccc2NC(=O)C1C1CCCCC1.
What is the InChIKey of 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is SLOJDKZQXVYTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(20)19-11-14-9-5-6-10-15(14)18-17(21)16(19)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3,(H,18,21).
What are the key properties of 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 163292969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).