1-hexyl-3-(2-hydroxypropyl)urea

C10H22N2O2 — CID 137320550

IUPAC1-hexyl-3-(2-hydroxypropyl)urea
SMILESCCCCCCNC(=O)NCC(C)O
InChIInChI=1S/C10H22N2O2/c1-3-4-5-6-7-11-10(14)12-8-9(2)13/h9,13H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyIARNCXIALGWXED-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.25
Rot. Bonds7

About 1-hexyl-3-(2-hydroxypropyl)urea

1-hexyl-3-(2-hydroxypropyl)urea (PubChem CID 137320550) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-hexyl-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-hexyl-3-(2-hydroxypropyl)urea
PubChem CID137320550
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-hexyl-3-(2-hydroxypropyl)urea
SMILESCCCCCCNC(=O)NCC(C)O
InChIInChI=1S/C10H22N2O2/c1-3-4-5-6-7-11-10(14)12-8-9(2)13/h9,13H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyIARNCXIALGWXED-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxypropyl)-3-propylurea
CID 12876542
1-butyl-3-octylurea
CID 17269600
1-propyl-3-tridecylurea
CID 10934987
3-methyl-4-(pentylcarbamoylamino)butanoic acid
CID 81073548
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-hexyl-3-propan-2-ylurea
CID 23264656
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
1-(2-aminopropyl)-3-butylurea
CID 63733148
1-(6,6-dimethylheptyl)-3-pentylurea
CID 143912834
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-hexyl-3-(2-hydroxypropyl)urea (CID 137320550) is 1-hexyl-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-hexyl-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-hexyl-3-(2-hydroxypropyl)urea is CCCCCCNC(=O)NCC(C)O.
What is the InChIKey of 1-hexyl-3-(2-hydroxypropyl)urea?
The InChIKey is IARNCXIALGWXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-4-5-6-7-11-10(14)12-8-9(2)13/h9,13H,3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-hexyl-3-(2-hydroxypropyl)urea?
1-hexyl-3-(2-hydroxypropyl)urea has a molecular weight of 202.30 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 137320550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).