1-methyl-3-(7-oxononyl)urea

C11H22N2O2 — CID 158424786

IUPAC1-methyl-3-(7-oxononyl)urea
SMILESCCC(=O)CCCCCCNC(=O)NC
InChIInChI=1S/C11H22N2O2/c1-3-10(14)8-6-4-5-7-9-13-11(15)12-2/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyCIRVDGCJVBVMHJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.85
Rot. Bonds8

About 1-methyl-3-(7-oxononyl)urea

1-methyl-3-(7-oxononyl)urea (PubChem CID 158424786) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methyl-3-(7-oxononyl)urea.

Molecular Properties

Compound Name1-methyl-3-(7-oxononyl)urea
PubChem CID158424786
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-methyl-3-(7-oxononyl)urea
SMILESCCC(=O)CCCCCCNC(=O)NC
InChIInChI=1S/C11H22N2O2/c1-3-10(14)8-6-4-5-7-9-13-11(15)12-2/h3-9H2,1-2H3,(H2,12,13,15)
InChIKeyCIRVDGCJVBVMHJ-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-3-nonylurea
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1-(1-adamantyl)-3-(6-oxooctyl)urea
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lithium;6-(methylcarbamoylamino)hexanoate;phosphanide
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1-N,3-N-bis(4-oxohexyl)-5-N-(6-oxooctyl)benzene-1,3,5-tricarboxamide;1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide;1-N,3-N,5-N-tris(4-oxohexyl)benzene-1,3,5-tricarboxamide
CID 159575625
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
methane;undecane-3,9-dione
CID 158816586
1-butyl-3-methylurea;hydrochloride
CID 20501295
1-methyl-3-(7-methyloctyl)urea
CID 71899901
N-(4-oxohexyl)pentadecanamide
CID 170421941
N-(4-oxohexyl)octadecanamide
CID 90448629
ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide
CID 162725840

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(7-oxononyl)urea?
The IUPAC name of 1-methyl-3-(7-oxononyl)urea (CID 158424786) is 1-methyl-3-(7-oxononyl)urea.
What is the SMILES notation for 1-methyl-3-(7-oxononyl)urea?
The canonical SMILES for 1-methyl-3-(7-oxononyl)urea is CCC(=O)CCCCCCNC(=O)NC.
What is the InChIKey of 1-methyl-3-(7-oxononyl)urea?
The InChIKey is CIRVDGCJVBVMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-10(14)8-6-4-5-7-9-13-11(15)12-2/h3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-methyl-3-(7-oxononyl)urea?
1-methyl-3-(7-oxononyl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(7-oxononyl)urea is sourced from PubChem (CID 158424786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).