3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea

C14H34N4O8Si2 — CID 166059659

IUPAC3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea
SMILESCO[Si](CCCNC(N)=O)(OC)OC[Si](OC)(OC)OCCCCNC(N)=O
InChIInChI=1S/C14H34N4O8Si2/c1-21-27(22-2,11-7-9-18-14(16)20)26-12-28(23-3,24-4)25-10-6-5-8-17-13(15)19/h5-12H2,1-4H3,(H3,15,17,19)(H3,16,18,20)
InChIKeyDZPXXOGDNHNNNY-UHFFFAOYSA-N
MW442.62 g/mol
LogP-0.47
Rot. Bonds17

About 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea

3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea (PubChem CID 166059659) has the molecular formula C14H34N4O8Si2 and a molecular weight of 442.62 g/mol. Its IUPAC name is 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea.

Molecular Properties

Compound Name3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea
PubChem CID166059659
Molecular FormulaC14H34N4O8Si2
Molecular Weight442.62 g/mol
Exact Mass442.19
IUPAC Name3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea
SMILESCO[Si](CCCNC(N)=O)(OC)OC[Si](OC)(OC)OCCCCNC(N)=O
InChIInChI=1S/C14H34N4O8Si2/c1-21-27(22-2,11-7-9-18-14(16)20)26-12-28(23-3,24-4)25-10-6-5-8-17-13(15)19/h5-12H2,1-4H3,(H3,15,17,19)(H3,16,18,20)
InChIKeyDZPXXOGDNHNNNY-UHFFFAOYSA-N
XLogP-0.47
TPSA165.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.62
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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
silane;3-triethoxysilylpropylurea
CID 161180470
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
3-methoxypropylurea
CID 2064040
3-(carbamoylamino)propyl trihexyl silicate
CID 175544695
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;4-[3-aminopropyl(dimethoxy)silyl]oxybutan-1-amine;gadolinium(3+);triacetate
CID 173127362
4-(carbamoylamino)butoxy-dimethoxysulfanium
CID 151159357
4-trimethoxysilylbutylcarbamic acid
CID 18755644
3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea
CID 59079127

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea?
The IUPAC name of 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea (CID 166059659) is 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea.
What is the SMILES notation for 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea?
The canonical SMILES for 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea is CO[Si](CCCNC(N)=O)(OC)OC[Si](OC)(OC)OCCCCNC(N)=O.
What is the InChIKey of 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea?
The InChIKey is DZPXXOGDNHNNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4O8Si2/c1-21-27(22-2,11-7-9-18-14(16)20)26-12-28(23-3,24-4)25-10-6-5-8-17-13(15)19/h5-12H2,1-4H3,(H3,15,17,19)(H3,16,18,20).
What are the key properties of 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea?
3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea has a molecular weight of 442.62 g/mol, XLogP of -0.47, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea is sourced from PubChem (CID 166059659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).