12-hydroxydodecylurea

C13H28N2O2 — CID 57265418

IUPAC12-hydroxydodecylurea
SMILESNC(=O)NCCCCCCCCCCCCO
InChIInChI=1S/C13H28N2O2/c14-13(17)15-11-9-7-5-3-1-2-4-6-8-10-12-16/h16H,1-12H2,(H3,14,15,17)
InChIKeyQTGJJBQJSVPHBM-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.55
Rot. Bonds12

About 12-hydroxydodecylurea

12-hydroxydodecylurea (PubChem CID 57265418) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 12-hydroxydodecylurea.

Molecular Properties

Compound Name12-hydroxydodecylurea
PubChem CID57265418
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name12-hydroxydodecylurea
SMILESNC(=O)NCCCCCCCCCCCCO
InChIInChI=1S/C13H28N2O2/c14-13(17)15-11-9-7-5-3-1-2-4-6-8-10-12-16/h16H,1-12H2,(H3,14,15,17)
InChIKeyQTGJJBQJSVPHBM-UHFFFAOYSA-N
XLogP2.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.55
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

2-(6-hydroxyhexylamino)ethylurea
CID 107703572
2-hydroxyethylurea;iron
CID 174789558
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
12-hydroxydodecylthiourea
CID 121377187
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
ethane;2-hydroxyethylurea
CID 144763401
pentylurea;hydrate
CID 172845599
[(4S)-4-amino-5-hydroxypentyl]urea
CID 122174122
CID 162306513
CID 162306513
3-chloropropylurea
CID 6421120
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
6-trimethoxysilylhexylurea
CID 87148927

Frequently Asked Questions

What is the IUPAC name of 12-hydroxydodecylurea?
The IUPAC name of 12-hydroxydodecylurea (CID 57265418) is 12-hydroxydodecylurea.
What is the SMILES notation for 12-hydroxydodecylurea?
The canonical SMILES for 12-hydroxydodecylurea is NC(=O)NCCCCCCCCCCCCO.
What is the InChIKey of 12-hydroxydodecylurea?
The InChIKey is QTGJJBQJSVPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c14-13(17)15-11-9-7-5-3-1-2-4-6-8-10-12-16/h16H,1-12H2,(H3,14,15,17).
What are the key properties of 12-hydroxydodecylurea?
12-hydroxydodecylurea has a molecular weight of 244.38 g/mol, XLogP of 2.55, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxydodecylurea is sourced from PubChem (CID 57265418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).