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

C14H24N2O4 — CID 104766508

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(CC2(OC)CCOC2)C1=O
InChIInChI=1S/C14H24N2O4/c1-3-4-11-13(18)16(7-5-12(17)15-11)9-14(19-2)6-8-20-10-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyDSYDZMRTVJKKCE-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.31
Rot. Bonds5

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

1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 104766508) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione
PubChem CID104766508
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CCN(CC2(OC)CCOC2)C1=O
InChIInChI=1S/C14H24N2O4/c1-3-4-11-13(18)16(7-5-12(17)15-11)9-14(19-2)6-8-20-10-14/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyDSYDZMRTVJKKCE-UHFFFAOYSA-N
XLogP0.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione (CID 104766508) is 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CCN(CC2(OC)CCOC2)C1=O.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is DSYDZMRTVJKKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-4-11-13(18)16(7-5-12(17)15-11)9-14(19-2)6-8-20-10-14/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione?
1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 284.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 104766508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).