1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C17H24N2O2 — CID 79909055

IUPAC1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC(C)CC1NC(=O)c2ccccc2N(CC(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)9-14-17(21)19(10-12(3)4)15-8-6-5-7-13(15)16(20)18-14/h5-8,11-12,14H,9-10H2,1-4H3,(H,18,20)
InChIKeyINKGVUARDQUXRW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.83
Rot. Bonds4

About 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79909055) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79909055
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC(C)CC1NC(=O)c2ccccc2N(CC(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)9-14-17(21)19(10-12(3)4)15-8-6-5-7-13(15)16(20)18-14/h5-8,11-12,14H,9-10H2,1-4H3,(H,18,20)
InChIKeyINKGVUARDQUXRW-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79909055) is 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CC(C)CC1NC(=O)c2ccccc2N(CC(C)C)C1=O.
What is the InChIKey of 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is INKGVUARDQUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)9-14-17(21)19(10-12(3)4)15-8-6-5-7-13(15)16(20)18-14/h5-8,11-12,14H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79909055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).