(3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate

C11H19N3O4 — CID 87547939

IUPAC(3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate
SMILESCCCCCCNC(=O)ON1C(=O)CN(C)C1=O
InChIInChI=1S/C11H19N3O4/c1-3-4-5-6-7-12-10(16)18-14-9(15)8-13(2)11(14)17/h3-8H2,1-2H3,(H,12,16)
InChIKeyDTLUBNAACNKVOU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.10
Rot. Bonds6

About (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate

(3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate (PubChem CID 87547939) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate
PubChem CID87547939
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate
SMILESCCCCCCNC(=O)ON1C(=O)CN(C)C1=O
InChIInChI=1S/C11H19N3O4/c1-3-4-5-6-7-12-10(16)18-14-9(15)8-13(2)11(14)17/h3-8H2,1-2H3,(H,12,16)
InChIKeyDTLUBNAACNKVOU-UHFFFAOYSA-N
XLogP1.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-nonylcarbamate
CID 5102101
nonylcarbamoperoxoic acid
CID 140999734
(2,2,6,6-tetramethylpiperidin-1-yl) N-hexylcarbamate
CID 141397797
3-oxo-N,2-dipentylpyrazolidine-1-carbothioamide
CID 88701738
N-(3-hydroxypropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43419262
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
hexyl N-tetradecylcarbamate
CID 91739120
(3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl) N-octylcarbamate
CID 91163668
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate?
The IUPAC name of (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate (CID 87547939) is (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate.
What is the SMILES notation for (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate?
The canonical SMILES for (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate is CCCCCCNC(=O)ON1C(=O)CN(C)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate?
The InChIKey is DTLUBNAACNKVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-3-4-5-6-7-12-10(16)18-14-9(15)8-13(2)11(14)17/h3-8H2,1-2H3,(H,12,16).
What are the key properties of (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate?
(3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate has a molecular weight of 257.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,5-dioxoimidazolidin-1-yl) N-hexylcarbamate is sourced from PubChem (CID 87547939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).