1-octyl-1,3-dipropylurea

C15H32N2O — CID 87897947

IUPAC1-octyl-1,3-dipropylurea
SMILESCCCCCCCCN(CCC)C(=O)NCCC
InChIInChI=1S/C15H32N2O/c1-4-7-8-9-10-11-14-17(13-6-3)15(18)16-12-5-2/h4-14H2,1-3H3,(H,16,18)
InChIKeyKPZYWFVSUBXMGQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.18
Rot. Bonds11

About 1-octyl-1,3-dipropylurea

1-octyl-1,3-dipropylurea (PubChem CID 87897947) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-octyl-1,3-dipropylurea.

Molecular Properties

Compound Name1-octyl-1,3-dipropylurea
PubChem CID87897947
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-octyl-1,3-dipropylurea
SMILESCCCCCCCCN(CCC)C(=O)NCCC
InChIInChI=1S/C15H32N2O/c1-4-7-8-9-10-11-14-17(13-6-3)15(18)16-12-5-2/h4-14H2,1-3H3,(H,16,18)
InChIKeyKPZYWFVSUBXMGQ-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.18
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

1,1,3-tri(undecyl)urea
CID 168918847
methane;1,1,3-trioctylurea
CID 163789497
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
3-methyl-1-pentyl-1-propylurea
CID 134269758
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
CID 88947493
CID 88947493
1,3-diheptyl-1-(hexylcarbamoyl)urea
CID 89190547
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
3-[[2-[(dioctadecylcarbamoylamino)methyl]phenyl]methyl]-1,1-dioctadecylurea
CID 140525948
N,N,N',N'-tetrahexyloxamide
CID 6424911
2-[2-[hexadecylcarbamoyl(undecyl)amino]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 13282813
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985

Frequently Asked Questions

What is the IUPAC name of 1-octyl-1,3-dipropylurea?
The IUPAC name of 1-octyl-1,3-dipropylurea (CID 87897947) is 1-octyl-1,3-dipropylurea.
What is the SMILES notation for 1-octyl-1,3-dipropylurea?
The canonical SMILES for 1-octyl-1,3-dipropylurea is CCCCCCCCN(CCC)C(=O)NCCC.
What is the InChIKey of 1-octyl-1,3-dipropylurea?
The InChIKey is KPZYWFVSUBXMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-7-8-9-10-11-14-17(13-6-3)15(18)16-12-5-2/h4-14H2,1-3H3,(H,16,18).
What are the key properties of 1-octyl-1,3-dipropylurea?
1-octyl-1,3-dipropylurea has a molecular weight of 256.43 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-1,3-dipropylurea is sourced from PubChem (CID 87897947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).