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

C9H20N2O2 — CID 21270271

IUPAC1-hexyl-3-(2-hydroxyethyl)urea
SMILESCCCCCCNC(=O)NCCO
InChIInChI=1S/C9H20N2O2/c1-2-3-4-5-6-10-9(13)11-7-8-12/h12H,2-8H2,1H3,(H2,10,11,13)
InChIKeySREMCNHPZDUNBV-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.86
Rot. Bonds7

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

1-hexyl-3-(2-hydroxyethyl)urea (PubChem CID 21270271) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-hexyl-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-hexyl-3-(2-hydroxyethyl)urea
PubChem CID21270271
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-hexyl-3-(2-hydroxyethyl)urea
SMILESCCCCCCNC(=O)NCCO
InChIInChI=1S/C9H20N2O2/c1-2-3-4-5-6-10-9(13)11-7-8-12/h12H,2-8H2,1H3,(H2,10,11,13)
InChIKeySREMCNHPZDUNBV-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.86
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

N-(2-Hydroxyethyl)-N'-(6-((((2-hydroxyethyl)amino)carbonyl)amino)hexyl)urea
CID 90024
N-Cyclohexyl-N'-(2-hydroxy-1-(hydroxymethyl)-1-methylethyl)urea
CID 853062
N-Cyclohexyl-N'-(2-hydroxy-1,1-dimethylethyl)urea
CID 853713
N-Cyclohexyl-N'-(2-hydroxyethyl)urea
CID 522238
N,N-Bis(2-hydroxyethyl)-N'-stearylurea
CID 169821
1-Butyl-3-(2-hydroxyethyl)urea
CID 251995
N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 57489402
1-cyclohexyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 51374342
1-butyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 72196936
1-[(1R)-1-(hydroxymethyl)propyl]-3-[6-[[(1R)-1-(hydroxymethyl)propyl]carbamoylamino]hexyl]urea
CID 72197120
3-Hexadecyl-1,1-bis(2-hydroxyethyl)urea
CID 3020502
N,N''-hexane-1,6-diylbis[N'-(2-hydroxyethyl)-N'-methylurea]
CID 56842804

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-hexyl-3-(2-hydroxyethyl)urea (CID 21270271) is 1-hexyl-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-hexyl-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-hexyl-3-(2-hydroxyethyl)urea is CCCCCCNC(=O)NCCO.
What is the InChIKey of 1-hexyl-3-(2-hydroxyethyl)urea?
The InChIKey is SREMCNHPZDUNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-2-3-4-5-6-10-9(13)11-7-8-12/h12H,2-8H2,1H3,(H2,10,11,13).
What are the key properties of 1-hexyl-3-(2-hydroxyethyl)urea?
1-hexyl-3-(2-hydroxyethyl)urea has a molecular weight of 188.27 g/mol, XLogP of 0.86, 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-hydroxyethyl)urea is sourced from PubChem (CID 21270271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).