1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea

C11H24N4O2 — CID 131888361

IUPAC1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
SMILESCCNC(=O)NCCCCCNC(=O)NCC
InChIInChI=1S/C11H24N4O2/c1-3-12-10(16)14-8-6-5-7-9-15-11(17)13-4-2/h3-9H2,1-2H3,(H2,12,14,16)(H2,13,15,17)
InChIKeyAANNTFKRUYHDDJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.79
Rot. Bonds8

About 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea

1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea (PubChem CID 131888361) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
PubChem CID131888361
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
SMILESCCNC(=O)NCCCCCNC(=O)NCC
InChIInChI=1S/C11H24N4O2/c1-3-12-10(16)14-8-6-5-7-9-15-11(17)13-4-2/h3-9H2,1-2H3,(H2,12,14,16)(H2,13,15,17)
InChIKeyAANNTFKRUYHDDJ-UHFFFAOYSA-N
XLogP0.79
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-[7-[3-(ethylcarbamoylamino)propylamino]heptylamino]propyl]urea;methane
CID 162179209
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-propyl-3-tridecylurea
CID 10934987
1,3-diethylurea;ethane
CID 142885504
1-[3-(butylamino)propyl]-3-ethylurea
CID 22381484
2-[16-(ethylcarbamoylamino)hexadecanoylamino]acetic acid
CID 90973435
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
1-ethyl-3-(3-methylsulfonylpropyl)urea
CID 47481210
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
1-ethyl-3-(4,4,5,5-tetramethylhexyl)urea
CID 59576148

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea?
The IUPAC name of 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea (CID 131888361) is 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea?
The canonical SMILES for 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea is CCNC(=O)NCCCCCNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea?
The InChIKey is AANNTFKRUYHDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-3-12-10(16)14-8-6-5-7-9-15-11(17)13-4-2/h3-9H2,1-2H3,(H2,12,14,16)(H2,13,15,17).
What are the key properties of 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea?
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea has a molecular weight of 244.34 g/mol, XLogP of 0.79, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea is sourced from PubChem (CID 131888361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).