7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione

C12H22N2O2 — CID 64882235

IUPAC7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-6-10-12(16)14(7-5-2)9(3)8-11(15)13-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyKOGBVHORAJHQPO-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds4

About 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione

7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione (PubChem CID 64882235) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
PubChem CID64882235
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-6-10-12(16)14(7-5-2)9(3)8-11(15)13-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyKOGBVHORAJHQPO-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64882619
1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 103414916
7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64882623
3-cyclopropyl-7-methyl-1-propyl-1,4-diazepane-2,5-dione
CID 64882100
7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64882430
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-ethyl-7-methyl-1-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64883241
1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64882753
3-ethyl-1-(2-ethylbutyl)-7-methyl-1,4-diazepane-2,5-dione
CID 82935951
3-ethyl-7-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64882463
3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
CID 82899910

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione?
The IUPAC name of 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione (CID 64882235) is 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CC(C)N(CCC)C1=O.
What is the InChIKey of 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione?
The InChIKey is KOGBVHORAJHQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-10-12(16)14(7-5-2)9(3)8-11(15)13-10/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione?
7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).