3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea

C13H32N4O3Si2 — CID 59079127

IUPAC3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea
SMILESC[Si](C)(CCCCNC(N)=O)O[Si](C)(C)CCCNC(N)=O
InChIInChI=1S/C13H32N4O3Si2/c1-21(2,10-6-5-8-16-12(14)18)20-22(3,4)11-7-9-17-13(15)19/h5-11H2,1-4H3,(H3,14,16,18)(H3,15,17,19)
InChIKeyKHJLPMSQNSLHNT-UHFFFAOYSA-N
MW348.60 g/mol
LogP1.92
Rot. Bonds11

About 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea

3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea (PubChem CID 59079127) has the molecular formula C13H32N4O3Si2 and a molecular weight of 348.60 g/mol. Its IUPAC name is 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea.

Molecular Properties

Compound Name3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea
PubChem CID59079127
Molecular FormulaC13H32N4O3Si2
Molecular Weight348.60 g/mol
Exact Mass348.20
IUPAC Name3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea
SMILESC[Si](C)(CCCCNC(N)=O)O[Si](C)(C)CCCNC(N)=O
InChIInChI=1S/C13H32N4O3Si2/c1-21(2,10-6-5-8-16-12(14)18)20-22(3,4)11-7-9-17-13(15)19/h5-11H2,1-4H3,(H3,14,16,18)(H3,15,17,19)
InChIKeyKHJLPMSQNSLHNT-UHFFFAOYSA-N
XLogP1.92
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-trimethoxysilylhexylurea
CID 87148927
methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate
CID 175696779
N-[3-[[[3-acetamidopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]acetamide
CID 153418128
4-[3-[[3-(3-carboxypropanoylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobutanoic acid
CID 170942066
2-[methoxy(dimethyl)silyl]ethylurea
CID 87336564
3-[[3-(carbamoylamino)propyl-[3-(carbamoylamino)propyl-[[[[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propylurea
CID 154593866
(E)-4-[3-[[3-[[(E)-3-carboxyprop-2-enoyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobut-2-enoic acid
CID 20725140
3-trifluorosilylpropylurea
CID 174136032
pentylurea;hydrate
CID 172845599
silane;3-triethoxysilylpropylurea
CID 161180470
2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603
butylurea;silicic acid
CID 86735760

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea?
The IUPAC name of 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea (CID 59079127) is 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea.
What is the SMILES notation for 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea?
The canonical SMILES for 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea is C[Si](C)(CCCCNC(N)=O)O[Si](C)(C)CCCNC(N)=O.
What is the InChIKey of 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea?
The InChIKey is KHJLPMSQNSLHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4O3Si2/c1-21(2,10-6-5-8-16-12(14)18)20-22(3,4)11-7-9-17-13(15)19/h5-11H2,1-4H3,(H3,14,16,18)(H3,15,17,19).
What are the key properties of 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea?
3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea has a molecular weight of 348.60 g/mol, XLogP of 1.92, 11 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea is sourced from PubChem (CID 59079127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).