3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea

C18H24N4O2Si — CID 57287984

IUPAC3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[Si](NC(=O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N4O2Si/c1-21(2)17(23)19-25(20-18(24)22(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3,(H,19,23)(H,20,24)
InChIKeyPPIKJHRXBZKDCN-UHFFFAOYSA-N
MW356.50 g/mol
LogP0.79
Rot. Bonds4

About 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea

3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea (PubChem CID 57287984) has the molecular formula C18H24N4O2Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea
PubChem CID57287984
Molecular FormulaC18H24N4O2Si
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[Si](NC(=O)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N4O2Si/c1-21(2)17(23)19-25(20-18(24)22(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3,(H,19,23)(H,20,24)
InChIKeyPPIKJHRXBZKDCN-UHFFFAOYSA-N
XLogP0.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea?
The IUPAC name of 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea (CID 57287984) is 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea is CN(C)C(=O)N[Si](NC(=O)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea?
The InChIKey is PPIKJHRXBZKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2Si/c1-21(2)17(23)19-25(20-18(24)22(3)4,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea?
3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea has a molecular weight of 356.50 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea is sourced from PubChem (CID 57287984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).