1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C15H20N2O2 — CID 79907697

IUPAC1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCC1NC(=O)c2ccccc2N(C(C)CC)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-10(3)17-13-9-7-6-8-11(13)14(18)16-12(5-2)15(17)19/h6-10,12H,4-5H2,1-3H3,(H,16,18)
InChIKeyDSAMZZORAACABO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.34
Rot. Bonds3

About 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79907697) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79907697
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCC1NC(=O)c2ccccc2N(C(C)CC)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-10(3)17-13-9-7-6-8-11(13)14(18)16-12(5-2)15(17)19/h6-10,12H,4-5H2,1-3H3,(H,16,18)
InChIKeyDSAMZZORAACABO-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79907697) is 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CCC1NC(=O)c2ccccc2N(C(C)CC)C1=O.
What is the InChIKey of 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is DSAMZZORAACABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-10(3)17-13-9-7-6-8-11(13)14(18)16-12(5-2)15(17)19/h6-10,12H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79907697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).