1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea

C15H30N6O3 — CID 2912871

IUPAC1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCCC(C)NC(=O)NC1C(NC(=O)NC(C)CC)N(C)C(=O)N1C
InChIInChI=1S/C15H30N6O3/c1-7-9(3)16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-10(4)8-2/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)
InChIKeyIHHVVMAPGRZQKA-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.83
Rot. Bonds6

About 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea

1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (PubChem CID 2912871) has the molecular formula C15H30N6O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
PubChem CID2912871
Molecular FormulaC15H30N6O3
Molecular Weight342.44 g/mol
Exact Mass342.24
IUPAC Name1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCCC(C)NC(=O)NC1C(NC(=O)NC(C)CC)N(C)C(=O)N1C
InChIInChI=1S/C15H30N6O3/c1-7-9(3)16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-10(4)8-2/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)
InChIKeyIHHVVMAPGRZQKA-UHFFFAOYSA-N
XLogP0.83
TPSA105.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The IUPAC name of 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (CID 2912871) is 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The canonical SMILES for 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is CCC(C)NC(=O)NC1C(NC(=O)NC(C)CC)N(C)C(=O)N1C.
What is the InChIKey of 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The InChIKey is IHHVVMAPGRZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O3/c1-7-9(3)16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-10(4)8-2/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23).
What are the key properties of 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[5-(butan-2-ylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is sourced from PubChem (CID 2912871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).