1-butyl-1-dodecylurea

C17H36N2O — CID 168918855

IUPAC1-butyl-1-dodecylurea
SMILESCCCCCCCCCCCCN(CCCC)C(N)=O
InChIInChI=1S/C17H36N2O/c1-3-5-7-8-9-10-11-12-13-14-16-19(17(18)20)15-6-4-2/h3-16H2,1-2H3,(H2,18,20)
InChIKeyRSTJTGRLRKEADU-UHFFFAOYSA-N
MW284.49 g/mol
LogP5.09
Rot. Bonds14

About 1-butyl-1-dodecylurea

1-butyl-1-dodecylurea (PubChem CID 168918855) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-butyl-1-dodecylurea.

Molecular Properties

Compound Name1-butyl-1-dodecylurea
PubChem CID168918855
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-butyl-1-dodecylurea
SMILESCCCCCCCCCCCCN(CCCC)C(N)=O
InChIInChI=1S/C17H36N2O/c1-3-5-7-8-9-10-11-12-13-14-16-19(17(18)20)15-6-4-2/h3-16H2,1-2H3,(H2,18,20)
InChIKeyRSTJTGRLRKEADU-UHFFFAOYSA-N
XLogP5.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
1,1-bis[(Z)-docos-13-enyl]urea
CID 174515686
1-hexyl-1-(3-methylbutyl)urea
CID 173062711
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686
1,1-di(tetradecyl)urea;1,2-xylene
CID 66809086
1-chloro-1-hexylurea
CID 175264526
N',N'-dioctadecyloxamide
CID 54497742
N-butyl-N-heptylacetamide
CID 91713167
carbamothioic S-acid;dihexadecylcarbamothioic S-acid
CID 88597147
N,N,N',N'-tetrahexyloxamide
CID 6424911
1-docosyl-1-[3-(4-hydroxyphenyl)propyl]urea
CID 70039834

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-dodecylurea?
The IUPAC name of 1-butyl-1-dodecylurea (CID 168918855) is 1-butyl-1-dodecylurea.
What is the SMILES notation for 1-butyl-1-dodecylurea?
The canonical SMILES for 1-butyl-1-dodecylurea is CCCCCCCCCCCCN(CCCC)C(N)=O.
What is the InChIKey of 1-butyl-1-dodecylurea?
The InChIKey is RSTJTGRLRKEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-3-5-7-8-9-10-11-12-13-14-16-19(17(18)20)15-6-4-2/h3-16H2,1-2H3,(H2,18,20).
What are the key properties of 1-butyl-1-dodecylurea?
1-butyl-1-dodecylurea has a molecular weight of 284.49 g/mol, XLogP of 5.09, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-dodecylurea is sourced from PubChem (CID 168918855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).