1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea

C15H30N6O3 — CID 2881566

IUPAC1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCCCCNC(=O)NC1C(NC(=O)NCCCC)N(C)C(=O)N1C
InChIInChI=1S/C15H30N6O3/c1-5-7-9-16-13(22)18-11-12(21(4)15(24)20(11)3)19-14(23)17-10-8-6-2/h11-12H,5-10H2,1-4H3,(H2,16,18,22)(H2,17,19,23)
InChIKeyKUYBJWLQJISPEY-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.83
Rot. Bonds8

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

1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (PubChem CID 2881566) has the molecular formula C15H30N6O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
PubChem CID2881566
Molecular FormulaC15H30N6O3
Molecular Weight342.44 g/mol
Exact Mass342.24
IUPAC Name1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCCCCNC(=O)NC1C(NC(=O)NCCCC)N(C)C(=O)N1C
InChIInChI=1S/C15H30N6O3/c1-5-7-9-16-13(22)18-11-12(21(4)15(24)20(11)3)19-14(23)17-10-8-6-2/h11-12H,5-10H2,1-4H3,(H2,16,18,22)(H2,17,19,23)
InChIKeyKUYBJWLQJISPEY-UHFFFAOYSA-N
XLogP0.83
TPSA105.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The IUPAC name of 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (CID 2881566) is 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.
What is the SMILES notation for 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The canonical SMILES for 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is CCCCNC(=O)NC1C(NC(=O)NCCCC)N(C)C(=O)N1C.
What is the InChIKey of 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The InChIKey is KUYBJWLQJISPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O3/c1-5-7-9-16-13(22)18-11-12(21(4)15(24)20(11)3)19-14(23)17-10-8-6-2/h11-12H,5-10H2,1-4H3,(H2,16,18,22)(H2,17,19,23).
What are the key properties of 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[5-(butylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is sourced from PubChem (CID 2881566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).