1-(4,4-diethoxybutyl)-3-ethylurea

C11H24N2O3 — CID 10988136

IUPAC1-(4,4-diethoxybutyl)-3-ethylurea
SMILESCCNC(=O)NCCCC(OCC)OCC
InChIInChI=1S/C11H24N2O3/c1-4-12-11(14)13-9-7-8-10(15-5-2)16-6-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyVLQAYYXWDXIJSL-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.48
Rot. Bonds9

About 1-(4,4-diethoxybutyl)-3-ethylurea

1-(4,4-diethoxybutyl)-3-ethylurea (PubChem CID 10988136) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(4,4-diethoxybutyl)-3-ethylurea.

Molecular Properties

Compound Name1-(4,4-diethoxybutyl)-3-ethylurea
PubChem CID10988136
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-(4,4-diethoxybutyl)-3-ethylurea
SMILESCCNC(=O)NCCCC(OCC)OCC
InChIInChI=1S/C11H24N2O3/c1-4-12-11(14)13-9-7-8-10(15-5-2)16-6-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyVLQAYYXWDXIJSL-UHFFFAOYSA-N
XLogP1.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-diethoxybutyl)-2-hydroxyacetamide
CID 89285758
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
1-(4,4-diethoxybutyl)-3-(4-methylsulfanylphenyl)urea
CID 3808672
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1,3-dihydroxypropan-2-yl N-(4,4-diethoxybutyl)carbamate
CID 140503778
N-(4,4-diethoxybutyl)-4-methylpent-3-enamide
CID 11054326
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
1,3-bis(5,5-diethoxy-3-silylpentyl)urea
CID 175706755
3,3-diethoxypropylcarbamic acid
CID 21075732
ethyl 2-(4,4-diethoxybutylamino)acetate
CID 119084301
1-[4,4-di(propan-2-yloxy)butyl]-3-methylurea
CID 132558973
1-butyl-3-(2-ethoxypropyl)urea
CID 115660949

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethoxybutyl)-3-ethylurea?
The IUPAC name of 1-(4,4-diethoxybutyl)-3-ethylurea (CID 10988136) is 1-(4,4-diethoxybutyl)-3-ethylurea.
What is the SMILES notation for 1-(4,4-diethoxybutyl)-3-ethylurea?
The canonical SMILES for 1-(4,4-diethoxybutyl)-3-ethylurea is CCNC(=O)NCCCC(OCC)OCC.
What is the InChIKey of 1-(4,4-diethoxybutyl)-3-ethylurea?
The InChIKey is VLQAYYXWDXIJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-12-11(14)13-9-7-8-10(15-5-2)16-6-3/h10H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(4,4-diethoxybutyl)-3-ethylurea?
1-(4,4-diethoxybutyl)-3-ethylurea has a molecular weight of 232.32 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethoxybutyl)-3-ethylurea is sourced from PubChem (CID 10988136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).