1-hexyl-3-hydroxyurea

C7H16N2O2 — CID 57210959

IUPAC1-hexyl-3-hydroxyurea
SMILESCCCCCCNC(=O)NO
InChIInChI=1S/C7H16N2O2/c1-2-3-4-5-6-8-7(10)9-11/h11H,2-6H2,1H3,(H2,8,9,10)
InChIKeyBUNNGDYZRGIBEH-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.26
Rot. Bonds5

About 1-hexyl-3-hydroxyurea

1-hexyl-3-hydroxyurea (PubChem CID 57210959) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-hexyl-3-hydroxyurea.

Molecular Properties

Compound Name1-hexyl-3-hydroxyurea
PubChem CID57210959
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-hexyl-3-hydroxyurea
SMILESCCCCCCNC(=O)NO
InChIInChI=1S/C7H16N2O2/c1-2-3-4-5-6-8-7(10)9-11/h11H,2-6H2,1H3,(H2,8,9,10)
InChIKeyBUNNGDYZRGIBEH-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-octylurea
CID 17269600
1-propyl-3-tridecylurea
CID 10934987
1-methyl-3-nonylurea
CID 91937244
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
N,N'-diheptyloxamide
CID 3417538
6-(octylcarbamoylamino)hexanamide
CID 11833003
1-tert-butyl-3-hexylurea
CID 115571487
2-(heptylcarbamoylamino)acetic acid
CID 43129060
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-hydroxyurea?
The IUPAC name of 1-hexyl-3-hydroxyurea (CID 57210959) is 1-hexyl-3-hydroxyurea.
What is the SMILES notation for 1-hexyl-3-hydroxyurea?
The canonical SMILES for 1-hexyl-3-hydroxyurea is CCCCCCNC(=O)NO.
What is the InChIKey of 1-hexyl-3-hydroxyurea?
The InChIKey is BUNNGDYZRGIBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-3-4-5-6-8-7(10)9-11/h11H,2-6H2,1H3,(H2,8,9,10).
What are the key properties of 1-hexyl-3-hydroxyurea?
1-hexyl-3-hydroxyurea has a molecular weight of 160.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-hydroxyurea is sourced from PubChem (CID 57210959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).