N-Octylurea

C9H20N2O — CID 200490

IUPACoctylurea
SMILESCCCCCCCCNC(=O)N
InChIInChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)
InChIKeyUBBIDOUCHSVOFY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds7

About N-Octylurea

N-Octylurea (PubChem CID 200490) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is octylurea.

Molecular Properties

Compound NameN-Octylurea
PubChem CID200490
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameoctylurea
SMILESCCCCCCCCNC(=O)N
InChIInChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12)
InChIKeyUBBIDOUCHSVOFY-UHFFFAOYSA-N
XLogP2.40
TPSA55.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity115

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-Octylurea?
The IUPAC name of N-Octylurea (CID 200490) is octylurea.
What is the SMILES notation for N-Octylurea?
The canonical SMILES for N-Octylurea is CCCCCCCCNC(=O)N.
What is the InChIKey of N-Octylurea?
The InChIKey is UBBIDOUCHSVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-11-9(10)12/h2-8H2,1H3,(H3,10,11,12).
What are the key properties of N-Octylurea?
N-Octylurea has a molecular weight of 172.27 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-Octylurea is sourced from PubChem (CID 200490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).