N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide

C9H17N3O3 — CID 15036812

IUPACN-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide
SMILESCCCCNC(=O)N1C(=O)N(C)CC1O
InChIInChI=1S/C9H17N3O3/c1-3-4-5-10-8(14)12-7(13)6-11(2)9(12)15/h7,13H,3-6H2,1-2H3,(H,10,14)
InChIKeyMGLPXOYOOURHMT-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.18
Rot. Bonds3

About N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide

N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 15036812) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide
PubChem CID15036812
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide
SMILESCCCCNC(=O)N1C(=O)N(C)CC1O
InChIInChI=1S/C9H17N3O3/c1-3-4-5-10-8(14)12-7(13)6-11(2)9(12)15/h7,13H,3-6H2,1-2H3,(H,10,14)
InChIKeyMGLPXOYOOURHMT-UHFFFAOYSA-N
XLogP0.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
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 N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide (CID 15036812) is N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide is CCCCNC(=O)N1C(=O)N(C)CC1O.
What is the InChIKey of N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is MGLPXOYOOURHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-3-4-5-10-8(14)12-7(13)6-11(2)9(12)15/h7,13H,3-6H2,1-2H3,(H,10,14).
What are the key properties of N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide?
N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-hydroxy-3-methyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 15036812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).