3-(3,3-diethoxypropoxysilyl)propylurea

C11H26N2O4Si — CID 154499859

IUPAC3-(3,3-diethoxypropoxysilyl)propylurea
SMILESCCOC(CCO[SiH2]CCCNC(N)=O)OCC
InChIInChI=1S/C11H26N2O4Si/c1-3-15-10(16-4-2)6-8-17-18-9-5-7-13-11(12)14/h10H,3-9,18H2,1-2H3,(H3,12,13,14)
InChIKeyXERAKFCBBRZPAA-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.35
Rot. Bonds12

About 3-(3,3-diethoxypropoxysilyl)propylurea

3-(3,3-diethoxypropoxysilyl)propylurea (PubChem CID 154499859) has the molecular formula C11H26N2O4Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(3,3-diethoxypropoxysilyl)propylurea.

Molecular Properties

Compound Name3-(3,3-diethoxypropoxysilyl)propylurea
PubChem CID154499859
Molecular FormulaC11H26N2O4Si
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-(3,3-diethoxypropoxysilyl)propylurea
SMILESCCOC(CCO[SiH2]CCCNC(N)=O)OCC
InChIInChI=1S/C11H26N2O4Si/c1-3-15-10(16-4-2)6-8-17-18-9-5-7-13-11(12)14/h10H,3-9,18H2,1-2H3,(H3,12,13,14)
InChIKeyXERAKFCBBRZPAA-UHFFFAOYSA-N
XLogP0.35
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxyethylurea
CID 22179539
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
N-(4,4-diethoxybutyl)-2-hydroxyacetamide
CID 89285758
1-(4,4-diethoxybutyl)-3-ethylurea
CID 10988136
3-(1,1-diethoxypropylsilyl)propylurea
CID 175352143
3,3-diethoxypropylcarbamic acid
CID 21075732
(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 123937255
silane;3-triethoxysilylpropylurea
CID 161180470
5-(3,3-diethoxypropylamino)pentanamide
CID 114162185
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
butylurea;silicic acid
CID 86735760
3-methoxypropylurea
CID 2064040

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethoxypropoxysilyl)propylurea?
The IUPAC name of 3-(3,3-diethoxypropoxysilyl)propylurea (CID 154499859) is 3-(3,3-diethoxypropoxysilyl)propylurea.
What is the SMILES notation for 3-(3,3-diethoxypropoxysilyl)propylurea?
The canonical SMILES for 3-(3,3-diethoxypropoxysilyl)propylurea is CCOC(CCO[SiH2]CCCNC(N)=O)OCC.
What is the InChIKey of 3-(3,3-diethoxypropoxysilyl)propylurea?
The InChIKey is XERAKFCBBRZPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4Si/c1-3-15-10(16-4-2)6-8-17-18-9-5-7-13-11(12)14/h10H,3-9,18H2,1-2H3,(H3,12,13,14).
What are the key properties of 3-(3,3-diethoxypropoxysilyl)propylurea?
3-(3,3-diethoxypropoxysilyl)propylurea has a molecular weight of 278.42 g/mol, XLogP of 0.35, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethoxypropoxysilyl)propylurea is sourced from PubChem (CID 154499859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).