4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one

C14H24N2O3 — CID 128995955

IUPAC4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCCC1OCCCC1C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H24N2O3/c1-3-12-11(6-4-9-19-12)14(18)16-8-5-7-15(2)13(17)10-16/h11-12H,3-10H2,1-2H3
InChIKeyDZODYPGNOXOKRE-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.88
Rot. Bonds2

About 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 128995955) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID128995955
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCCC1OCCCC1C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H24N2O3/c1-3-12-11(6-4-9-19-12)14(18)16-8-5-7-15(2)13(17)10-16/h11-12H,3-10H2,1-2H3
InChIKeyDZODYPGNOXOKRE-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,3R)-2-ethyloxane-3-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 129492439
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 129491970
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 129492024
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016
1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
CID 102847763
4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one
CID 64851070
4-(2-aminocyclohexanecarbonyl)-1-methylpiperazin-2-one
CID 64693122
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114104218
ethyl 4-methyl-3-oxo-1,4-diazepane-1-carboxylate
CID 102892971
(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 128995882

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 128995955) is 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one is CCC1OCCCC1C(=O)N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is DZODYPGNOXOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-12-11(6-4-9-19-12)14(18)16-8-5-7-15(2)13(17)10-16/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 128995955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).