3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione

C16H20N2O2 — CID 64969237

IUPAC3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
SMILESCC1CC1N1CCC(=O)NC(Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-9-14(11)18-8-7-15(19)17-13(16(18)20)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19)
InChIKeyOUOJCQMWTJOENM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.35
Rot. Bonds3

About 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione

3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione (PubChem CID 64969237) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
PubChem CID64969237
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
SMILESCC1CC1N1CCC(=O)NC(Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-9-14(11)18-8-7-15(19)17-13(16(18)20)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19)
InChIKeyOUOJCQMWTJOENM-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione (CID 64969237) is 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione is CC1CC1N1CCC(=O)NC(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione?
The InChIKey is OUOJCQMWTJOENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-9-14(11)18-8-7-15(19)17-13(16(18)20)10-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19).
What are the key properties of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione?
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64969237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).