7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione

C17H22N2O2 — CID 107902470

IUPAC7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)=CCN1C(=O)C(c2ccccc2)NC(=O)CC1C
InChIInChI=1S/C17H22N2O2/c1-12(2)9-10-19-13(3)11-15(20)18-16(17(19)21)14-7-5-4-6-8-14/h4-9,13,16H,10-11H2,1-3H3,(H,18,20)
InChIKeyBYFLJAFEFKSIKA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.43
Rot. Bonds3

About 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione

7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione (PubChem CID 107902470) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione
PubChem CID107902470
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)=CCN1C(=O)C(c2ccccc2)NC(=O)CC1C
InChIInChI=1S/C17H22N2O2/c1-12(2)9-10-19-13(3)11-15(20)18-16(17(19)21)14-7-5-4-6-8-14/h4-9,13,16H,10-11H2,1-3H3,(H,18,20)
InChIKeyBYFLJAFEFKSIKA-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-7-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64882001
1-(3-fluoropropyl)-7-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 81109500
3-ethyl-3,7-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazepane-2,5-dione
CID 114014219
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
CID 107898417
6-cyclopropyl-1-ethyl-3-phenylpiperazine-2,5-dione
CID 64885933
6-methyl-3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963667
1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 107902293
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
CID 64883443
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione
CID 107902290
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
1-pentan-3-yl-3-phenylpiperazine-2,5-dione
CID 64958214
1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
CID 82157142

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione?
The IUPAC name of 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione (CID 107902470) is 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione is CC(C)=CCN1C(=O)C(c2ccccc2)NC(=O)CC1C.
What is the InChIKey of 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione?
The InChIKey is BYFLJAFEFKSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)9-10-19-13(3)11-15(20)18-16(17(19)21)14-7-5-4-6-8-14/h4-9,13,16H,10-11H2,1-3H3,(H,18,20).
What are the key properties of 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione?
7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 107902470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).