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

C15H20N2O2 — CID 83169240

IUPAC1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC(C)CCCN1C(=O)CNC(=O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-11(2)6-5-9-17-13-8-4-3-7-12(13)15(19)16-10-14(17)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)
InChIKeyDTRWITXBVOMPEK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.20
Rot. Bonds4

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

1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 83169240) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID83169240
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCC(C)CCCN1C(=O)CNC(=O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-11(2)6-5-9-17-13-8-4-3-7-12(13)15(19)16-10-14(17)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19)
InChIKeyDTRWITXBVOMPEK-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 83169240) is 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CC(C)CCCN1C(=O)CNC(=O)c2ccccc21.
What is the InChIKey of 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is DTRWITXBVOMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)6-5-9-17-13-8-4-3-7-12(13)15(19)16-10-14(17)18/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,19).
What are the key properties of 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 83169240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).