1,1-dimethyl-3-octylurea

C11H24N2O — CID 115765342

IUPAC1,1-dimethyl-3-octylurea
SMILESCCCCCCCCNC(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-4-5-6-7-8-9-10-12-11(14)13(2)3/h4-10H2,1-3H3,(H,12,14)
InChIKeyPCKNHILVZMWOFM-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.62
Rot. Bonds7

About 1,1-dimethyl-3-octylurea

1,1-dimethyl-3-octylurea (PubChem CID 115765342) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,1-dimethyl-3-octylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-octylurea
PubChem CID115765342
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,1-dimethyl-3-octylurea
SMILESCCCCCCCCNC(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-4-5-6-7-8-9-10-12-11(14)13(2)3/h4-10H2,1-3H3,(H,12,14)
InChIKeyPCKNHILVZMWOFM-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-octylurea?
The IUPAC name of 1,1-dimethyl-3-octylurea (CID 115765342) is 1,1-dimethyl-3-octylurea.
What is the SMILES notation for 1,1-dimethyl-3-octylurea?
The canonical SMILES for 1,1-dimethyl-3-octylurea is CCCCCCCCNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-octylurea?
The InChIKey is PCKNHILVZMWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-5-6-7-8-9-10-12-11(14)13(2)3/h4-10H2,1-3H3,(H,12,14).
What are the key properties of 1,1-dimethyl-3-octylurea?
1,1-dimethyl-3-octylurea has a molecular weight of 200.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-octylurea is sourced from PubChem (CID 115765342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).