3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione

C14H18N2O2 — CID 64883939

IUPAC3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)N1CCC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-10(2)16-9-8-12(17)15-13(14(16)18)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,17)
InChIKeyGQGIVVADNGAKLV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds2

About 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione

3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 64883939) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
PubChem CID64883939
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
SMILESCC(C)N1CCC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-10(2)16-9-8-12(17)15-13(14(16)18)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,17)
InChIKeyGQGIVVADNGAKLV-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione (CID 64883939) is 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione is CC(C)N1CCC(=O)NC(c2ccccc2)C1=O.
What is the InChIKey of 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is GQGIVVADNGAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)16-9-8-12(17)15-13(14(16)18)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione?
3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64883939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).