1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione

C17H24N2O2 — CID 64960044

IUPAC1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)CC(C)N1CCC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-12(2)11-13(3)19-10-9-15(20)18-16(17(19)21)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,18,20)
InChIKeyNNCOVDGMXHSKAE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione

1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione (PubChem CID 64960044) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
PubChem CID64960044
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)CC(C)N1CCC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-12(2)11-13(3)19-10-9-15(20)18-16(17(19)21)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,18,20)
InChIKeyNNCOVDGMXHSKAE-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione (CID 64960044) is 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione is CC(C)CC(C)N1CCC(=O)NC(c2ccccc2)C1=O.
What is the InChIKey of 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione?
The InChIKey is NNCOVDGMXHSKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)11-13(3)19-10-9-15(20)18-16(17(19)21)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,18,20).
What are the key properties of 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione?
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64960044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).