1-diphenylphosphanyl-1,3-dimethylurea

C15H17N2OP — CID 86209886

IUPAC1-diphenylphosphanyl-1,3-dimethylurea
SMILESCNC(=O)N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N2OP/c1-16-15(18)17(2)19(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,16,18)
InChIKeyXICQCIJPVMVNGB-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.31
Rot. Bonds3

About 1-diphenylphosphanyl-1,3-dimethylurea

1-diphenylphosphanyl-1,3-dimethylurea (PubChem CID 86209886) has the molecular formula C15H17N2OP and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-diphenylphosphanyl-1,3-dimethylurea.

Molecular Properties

Compound Name1-diphenylphosphanyl-1,3-dimethylurea
PubChem CID86209886
Molecular FormulaC15H17N2OP
Molecular Weight272.29 g/mol
Exact Mass272.11
IUPAC Name1-diphenylphosphanyl-1,3-dimethylurea
SMILESCNC(=O)N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17N2OP/c1-16-15(18)17(2)19(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,16,18)
InChIKeyXICQCIJPVMVNGB-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Diphenylphosphinyl)-N-methyl-methanamine
CID 11128563
diphenyl-N-methylcarbamoylmethylphosphine
CID 15199033
N-(n-Butyl)-N'-(diphenylphosphinyl)harnstoff
CID 129647173
N-Cyan-N'-diphenylphosphinyLharnstoff
CID 129647178
N-(diphenylphosphoryl)-N'-n-propylurea
CID 155919950
2-Fluoro-1,3-dimethyl-2,2-diphenyl-1,3,2lambda5-diazaphosphetidin-4-one
CID 21732319
1,3-Bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
CID 15105654
1,3-Bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea
CID 15105656
1,3-Dimethyl-1-[[methyl(methylcarbamoyl)amino]-diphenylsilyl]urea
CID 20334392
Benzene;methylurea
CID 21413609
1,3-Dimethyl-1-phenyltellanylurea
CID 87932984
Benzene;3-cyano-1,1-dimethylurea
CID 88377889

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanyl-1,3-dimethylurea?
The IUPAC name of 1-diphenylphosphanyl-1,3-dimethylurea (CID 86209886) is 1-diphenylphosphanyl-1,3-dimethylurea.
What is the SMILES notation for 1-diphenylphosphanyl-1,3-dimethylurea?
The canonical SMILES for 1-diphenylphosphanyl-1,3-dimethylurea is CNC(=O)N(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanyl-1,3-dimethylurea?
The InChIKey is XICQCIJPVMVNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2OP/c1-16-15(18)17(2)19(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,16,18).
What are the key properties of 1-diphenylphosphanyl-1,3-dimethylurea?
1-diphenylphosphanyl-1,3-dimethylurea has a molecular weight of 272.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-1,3-dimethylurea is sourced from PubChem (CID 86209886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).