1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one

C12H23N3O3 — CID 132970563

IUPAC1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one
SMILESCCC(C(=O)N1CC(=O)N(CCOC)C1)N(C)C
InChIInChI=1S/C12H23N3O3/c1-5-10(13(2)3)12(17)15-8-11(16)14(9-15)6-7-18-4/h10H,5-9H2,1-4H3
InChIKeyRHWODXSMZYSDJU-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.40
Rot. Bonds6

About 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one

1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one (PubChem CID 132970563) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one
PubChem CID132970563
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one
SMILESCCC(C(=O)N1CC(=O)N(CCOC)C1)N(C)C
InChIInChI=1S/C12H23N3O3/c1-5-10(13(2)3)12(17)15-8-11(16)14(9-15)6-7-18-4/h10H,5-9H2,1-4H3
InChIKeyRHWODXSMZYSDJU-UHFFFAOYSA-N
XLogP-0.40
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one?
The IUPAC name of 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one (CID 132970563) is 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one is CCC(C(=O)N1CC(=O)N(CCOC)C1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one?
The InChIKey is RHWODXSMZYSDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-10(13(2)3)12(17)15-8-11(16)14(9-15)6-7-18-4/h10H,5-9H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one?
1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one has a molecular weight of 257.33 g/mol, XLogP of -0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)butanoyl]-3-(2-methoxyethyl)imidazolidin-4-one is sourced from PubChem (CID 132970563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).