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

C16H22N2O2 — CID 79906777

IUPAC1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC(C)CN1C(=O)C(C(C)C)NC(=O)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-10(2)9-18-13-8-6-5-7-12(13)15(19)17-14(11(3)4)16(18)20/h5-8,10-11,14H,9H2,1-4H3,(H,17,19)
InChIKeyXLCCCNSXLVDBGG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds3

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

1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79906777) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79906777
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC(C)CN1C(=O)C(C(C)C)NC(=O)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-10(2)9-18-13-8-6-5-7-12(13)15(19)17-14(11(3)4)16(18)20/h5-8,10-11,14H,9H2,1-4H3,(H,17,19)
InChIKeyXLCCCNSXLVDBGG-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79906777) is 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CC(C)CN1C(=O)C(C(C)C)NC(=O)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is XLCCCNSXLVDBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)9-18-13-8-6-5-7-12(13)15(19)17-14(11(3)4)16(18)20/h5-8,10-11,14H,9H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79906777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).