1,1-dimethylurea;triphenylphosphane

C21H23N2OP — CID 174899440

IUPAC1,1-dimethylurea;triphenylphosphane
SMILESCN(C)C(N)=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C3H8N2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)3(4)6/h1-15H;1-2H3,(H2,4,6)
InChIKeyJVPQEBOZTGYUMT-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.07
Rot. Bonds3

About 1,1-dimethylurea;triphenylphosphane

1,1-dimethylurea;triphenylphosphane (PubChem CID 174899440) has the molecular formula C21H23N2OP and a molecular weight of 350.40 g/mol. Its IUPAC name is 1,1-dimethylurea;triphenylphosphane.

Molecular Properties

Compound Name1,1-dimethylurea;triphenylphosphane
PubChem CID174899440
Molecular FormulaC21H23N2OP
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1,1-dimethylurea;triphenylphosphane
SMILESCN(C)C(N)=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C3H8N2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)3(4)6/h1-15H;1-2H3,(H2,4,6)
InChIKeyJVPQEBOZTGYUMT-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylurea;triphenylphosphane?
The IUPAC name of 1,1-dimethylurea;triphenylphosphane (CID 174899440) is 1,1-dimethylurea;triphenylphosphane.
What is the SMILES notation for 1,1-dimethylurea;triphenylphosphane?
The canonical SMILES for 1,1-dimethylurea;triphenylphosphane is CN(C)C(N)=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1-dimethylurea;triphenylphosphane?
The InChIKey is JVPQEBOZTGYUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C3H8N2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)3(4)6/h1-15H;1-2H3,(H2,4,6).
What are the key properties of 1,1-dimethylurea;triphenylphosphane?
1,1-dimethylurea;triphenylphosphane has a molecular weight of 350.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylurea;triphenylphosphane is sourced from PubChem (CID 174899440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).