1,1-dimethyl-3,3-dioctylurea

C19H40N2O — CID 139841323

IUPAC1,1-dimethyl-3,3-dioctylurea
SMILESCCCCCCCCN(CCCCCCCC)C(=O)N(C)C
InChIInChI=1S/C19H40N2O/c1-5-7-9-11-13-15-17-21(19(22)20(3)4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3
InChIKeyYHYDBAFVMYOWEZ-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.69
Rot. Bonds14

About 1,1-dimethyl-3,3-dioctylurea

1,1-dimethyl-3,3-dioctylurea (PubChem CID 139841323) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,1-dimethyl-3,3-dioctylurea.

Molecular Properties

Compound Name1,1-dimethyl-3,3-dioctylurea
PubChem CID139841323
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name1,1-dimethyl-3,3-dioctylurea
SMILESCCCCCCCCN(CCCCCCCC)C(=O)N(C)C
InChIInChI=1S/C19H40N2O/c1-5-7-9-11-13-15-17-21(19(22)20(3)4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3
InChIKeyYHYDBAFVMYOWEZ-UHFFFAOYSA-N
XLogP5.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(dioctylcarbamoyl)-1-methyl-3,3-dioctylurea
CID 142318742
1-decyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,3-dimethylurea
CID 3648902
1-butyl-1-(chloromethyl)-3,3-dimethylurea
CID 21398164
N,N,N',N'-tetrahexyloxamide
CID 6424911
sodium N,N-dioctylcarbamothioate
CID 87721857
N,N-di(icosyl)acetamide
CID 57063838
hexyl(octadecyl)carbamic acid
CID 87702094
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
N-butyl-N-heptylacetamide
CID 91713167
di(undecyl)carbamothioic S-acid
CID 87619632

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,3-dioctylurea?
The IUPAC name of 1,1-dimethyl-3,3-dioctylurea (CID 139841323) is 1,1-dimethyl-3,3-dioctylurea.
What is the SMILES notation for 1,1-dimethyl-3,3-dioctylurea?
The canonical SMILES for 1,1-dimethyl-3,3-dioctylurea is CCCCCCCCN(CCCCCCCC)C(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3,3-dioctylurea?
The InChIKey is YHYDBAFVMYOWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-5-7-9-11-13-15-17-21(19(22)20(3)4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3.
What are the key properties of 1,1-dimethyl-3,3-dioctylurea?
1,1-dimethyl-3,3-dioctylurea has a molecular weight of 312.54 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,3-dioctylurea is sourced from PubChem (CID 139841323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).