1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea

C13H22N4O2Si — CID 54086287

IUPAC1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea
SMILESCNC(=O)N(C)[Si](C)(c1ccccc1)N(C)C(=O)NC
InChIInChI=1S/C13H22N4O2Si/c1-14-12(18)16(3)20(5,17(4)13(19)15-2)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,14,18)(H,15,19)
InChIKeyMQSGAHOEKFZCON-UHFFFAOYSA-N
MW294.43 g/mol
LogP0.51
Rot. Bonds3

About 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea

1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea (PubChem CID 54086287) has the molecular formula C13H22N4O2Si and a molecular weight of 294.43 g/mol. Its IUPAC name is 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea
PubChem CID54086287
Molecular FormulaC13H22N4O2Si
Molecular Weight294.43 g/mol
Exact Mass294.15
IUPAC Name1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea
SMILESCNC(=O)N(C)[Si](C)(c1ccccc1)N(C)C(=O)NC
InChIInChI=1S/C13H22N4O2Si/c1-14-12(18)16(3)20(5,17(4)13(19)15-2)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,14,18)(H,15,19)
InChIKeyMQSGAHOEKFZCON-UHFFFAOYSA-N
XLogP0.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 50.51
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 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea?
The IUPAC name of 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea (CID 54086287) is 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea is CNC(=O)N(C)[Si](C)(c1ccccc1)N(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea?
The InChIKey is MQSGAHOEKFZCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2Si/c1-14-12(18)16(3)20(5,17(4)13(19)15-2)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,14,18)(H,15,19).
What are the key properties of 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea?
1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea has a molecular weight of 294.43 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea is sourced from PubChem (CID 54086287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).