1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione

C17H24N2O2 — CID 64973008

IUPAC1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(Cc2ccccc2CC)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-7-15-17(21)19(11-10-16(20)18-15)12-14-9-6-5-8-13(14)4-2/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,20)
InChIKeyZLMNVERAMFJSSW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds5

About 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione

1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 64973008) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
PubChem CID64973008
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(Cc2ccccc2CC)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-7-15-17(21)19(11-10-16(20)18-15)12-14-9-6-5-8-13(14)4-2/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,20)
InChIKeyZLMNVERAMFJSSW-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione (CID 64973008) is 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CCN(Cc2ccccc2CC)C1=O.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is ZLMNVERAMFJSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-7-15-17(21)19(11-10-16(20)18-15)12-14-9-6-5-8-13(14)4-2/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64973008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).