1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione

C15H28N2O4 — CID 103414916

IUPAC1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCCOCCOC)C1=O
InChIInChI=1S/C15H28N2O4/c1-4-6-13-15(19)17(12(2)11-14(18)16-13)7-5-8-21-10-9-20-3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeySWDIDWYGYBLBAC-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.95
Rot. Bonds9

About 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione

1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 103414916) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
PubChem CID103414916
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCCOCCOC)C1=O
InChIInChI=1S/C15H28N2O4/c1-4-6-13-15(19)17(12(2)11-14(18)16-13)7-5-8-21-10-9-20-3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeySWDIDWYGYBLBAC-UHFFFAOYSA-N
XLogP0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64882619
1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
CID 64882235
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64880934
1-(3-methoxypropyl)-3-propylpiperazine-2,5-dione
CID 64879793
3-ethyl-7-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64882463
1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64882753
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64882623
2-cyclopentyl-3-(4-methoxybutyl)-5-propylimidazolidin-4-one
CID 83246103
3-butan-2-yl-7-methyl-1-(2-propoxyethyl)-1,4-diazepane-2,5-dione
CID 106459146
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione (CID 103414916) is 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CC(C)N(CCCOCCOC)C1=O.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is SWDIDWYGYBLBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-6-13-15(19)17(12(2)11-14(18)16-13)7-5-8-21-10-9-20-3/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione?
1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 103414916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).