1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one

C13H22N2O4 — CID 128893546

IUPAC1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)C2(OC)CCOCC2)C1
InChIInChI=1S/C13H22N2O4/c1-3-11(16)14-6-7-15(10-14)12(17)13(18-2)4-8-19-9-5-13/h3-10H2,1-2H3
InChIKeyGQYZSQWYBCOWRL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.22
Rot. Bonds3

About 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one

1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one (PubChem CID 128893546) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one
PubChem CID128893546
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)C2(OC)CCOCC2)C1
InChIInChI=1S/C13H22N2O4/c1-3-11(16)14-6-7-15(10-14)12(17)13(18-2)4-8-19-9-5-13/h3-10H2,1-2H3
InChIKeyGQYZSQWYBCOWRL-UHFFFAOYSA-N
XLogP0.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840066
ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 145317159
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600
1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one
CID 12845387
1-(4-methoxyoxan-4-yl)pent-4-en-1-one
CID 116748516
1-(4-methoxyoxan-4-yl)-2-propoxyethanone
CID 116748657
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 115294193
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one (CID 128893546) is 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)C2(OC)CCOCC2)C1.
What is the InChIKey of 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one?
The InChIKey is GQYZSQWYBCOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-11(16)14-6-7-15(10-14)12(17)13(18-2)4-8-19-9-5-13/h3-10H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one?
1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one has a molecular weight of 270.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyoxane-4-carbonyl)imidazolidin-1-yl]propan-1-one is sourced from PubChem (CID 128893546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).