3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione

C17H24N2O2 — CID 64959975

IUPAC3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
SMILESCC(C)c1cccc(N2CCC(=O)NC(C(C)C)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-11(2)13-6-5-7-14(10-13)19-9-8-15(20)18-16(12(3)4)17(19)21/h5-7,10-12,16H,8-9H2,1-4H3,(H,18,20)
InChIKeyVIZKVFFZHHQACD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.69
Rot. Bonds3

About 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione

3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione (PubChem CID 64959975) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
PubChem CID64959975
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
SMILESCC(C)c1cccc(N2CCC(=O)NC(C(C)C)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-11(2)13-6-5-7-14(10-13)19-9-8-15(20)18-16(12(3)4)17(19)21/h5-7,10-12,16H,8-9H2,1-4H3,(H,18,20)
InChIKeyVIZKVFFZHHQACD-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64956447
3-ethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959856
1-(3-bromo-4-methylphenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970829
1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959894
3,3-dimethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959882
1-(2,5-dibromophenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64964250
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-(4-chloro-2-fluorophenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64965228
3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione
CID 64966192
2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
CID 118133804
3-butan-2-yl-1-pyridin-3-yl-1,4-diazepane-2,5-dione
CID 64956259
1-(3-iodophenyl)-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64962688

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione (CID 64959975) is 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione is CC(C)c1cccc(N2CCC(=O)NC(C(C)C)C2=O)c1.
What is the InChIKey of 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
The InChIKey is VIZKVFFZHHQACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)13-6-5-7-14(10-13)19-9-8-15(20)18-16(12(3)4)17(19)21/h5-7,10-12,16H,8-9H2,1-4H3,(H,18,20).
What are the key properties of 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64959975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).