3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione

C17H24N2O2 — CID 64884629

IUPAC3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)CCN1CCC(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)9-11-19-12-10-15(20)18-17(3,16(19)21)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,20)
InChIKeyBPVVJSMJDLZSCV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione

3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione (PubChem CID 64884629) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione
PubChem CID64884629
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)CCN1CCC(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)9-11-19-12-10-15(20)18-17(3,16(19)21)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,20)
InChIKeyBPVVJSMJDLZSCV-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxypropyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64881892
1-(2-ethoxyethyl)-3-methyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64882280
3-methyl-1-pent-4-ynyl-3-phenyl-1,4-diazepane-2,5-dione
CID 106222106
3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64881358
1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 81110235
1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 64971848
1-(4-methylpentyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64970595
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327206
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965769
3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64881353
1-(3-phenylbutyl)-1,4-diazepane-2,5-dione
CID 64969982
5-methyl-1-(4-methylpentyl)-5-phenylimidazolidine-2,4-dione
CID 83169332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione (CID 64884629) is 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione is CC(C)CCN1CCC(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione?
The InChIKey is BPVVJSMJDLZSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)9-11-19-12-10-15(20)18-17(3,16(19)21)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione?
3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutyl)-3-phenyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64884629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).