1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one

C16H32N2O3 — CID 139925627

IUPAC1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one
SMILESCCC(OC)C(CC)(C(C)C)N1CCN(CCOC)C1=O
InChIInChI=1S/C16H32N2O3/c1-7-14(21-6)16(8-2,13(3)4)18-10-9-17(15(18)19)11-12-20-5/h13-14H,7-12H2,1-6H3
InChIKeyAOEKTXUYEQUEAI-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.60
Rot. Bonds9

About 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one

1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925627) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925627
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one
SMILESCCC(OC)C(CC)(C(C)C)N1CCN(CCOC)C1=O
InChIInChI=1S/C16H32N2O3/c1-7-14(21-6)16(8-2,13(3)4)18-10-9-17(15(18)19)11-12-20-5/h13-14H,7-12H2,1-6H3
InChIKeyAOEKTXUYEQUEAI-UHFFFAOYSA-N
XLogP2.60
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one (CID 139925627) is 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one is CCC(OC)C(CC)(C(C)C)N1CCN(CCOC)C1=O.
What is the InChIKey of 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is AOEKTXUYEQUEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-14(21-6)16(8-2,13(3)4)18-10-9-17(15(18)19)11-12-20-5/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one?
1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 300.44 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxy-2-methylhexan-3-yl)-3-(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).