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

C17H24N2O2 — CID 64956447

IUPAC3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
SMILESCC(C)c1ccc(N2CCC(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-11(2)13-5-7-14(8-6-13)19-10-9-15(20)18-16(12(3)4)17(19)21/h5-8,11-12,16H,9-10H2,1-4H3,(H,18,20)
InChIKeyBUYVNCVHLDVISU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.69
Rot. Bonds3

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

3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione (PubChem CID 64956447) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
PubChem CID64956447
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
SMILESCC(C)c1ccc(N2CCC(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-11(2)13-5-7-14(8-6-13)19-10-9-15(20)18-16(12(3)4)17(19)21/h5-8,11-12,16H,9-10H2,1-4H3,(H,18,20)
InChIKeyBUYVNCVHLDVISU-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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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione (CID 64956447) is 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione is CC(C)c1ccc(N2CCC(=O)NC(C(C)C)C2=O)cc1.
What is the InChIKey of 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
The InChIKey is BUYVNCVHLDVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)13-5-7-14(8-6-13)19-10-9-15(20)18-16(12(3)4)17(19)21/h5-8,11-12,16H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 3-propan-2-yl-1-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione?
3-propan-2-yl-1-(4-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-(4-propan-2-ylphenyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64956447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).