(3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C14H18N2O2 — CID 125440790

IUPAC(3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCc1ccc2c(c1)C(=O)N(C)[C@H](CC)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-4-9-6-7-11-10(8-9)14(18)16(3)12(5-2)13(17)15-11/h6-8,12H,4-5H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyOQDDBQZUGUXIIB-GFCCVEGCSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds2

About (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

(3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 125440790) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name(3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID125440790
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCc1ccc2c(c1)C(=O)N(C)[C@H](CC)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-4-9-6-7-11-10(8-9)14(18)16(3)12(5-2)13(17)15-11/h6-8,12H,4-5H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyOQDDBQZUGUXIIB-GFCCVEGCSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 125440790) is (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CCc1ccc2c(c1)C(=O)N(C)[C@H](CC)C(=O)N2.
What is the InChIKey of (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is OQDDBQZUGUXIIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9-6-7-11-10(8-9)14(18)16(3)12(5-2)13(17)15-11/h6-8,12H,4-5H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
(3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 125440790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).