1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea

C14H32N4O8Si2 — CID 140827461

IUPAC1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea
SMILESCO[Si](CNC(=O)NC/C=C/CNC(=O)NC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H32N4O8Si2/c1-21-27(22-2,23-3)11-17-13(19)15-9-7-8-10-16-14(20)18-12-28(24-4,25-5)26-6/h7-8H,9-12H2,1-6H3,(H2,15,17,19)(H2,16,18,20)/b8-7+
InChIKeyPGECXWGZNVKSAF-BQYQJAHWSA-N
MW440.60 g/mol
LogP-1.02
Rot. Bonds14

About 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea

1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea (PubChem CID 140827461) has the molecular formula C14H32N4O8Si2 and a molecular weight of 440.60 g/mol. Its IUPAC name is 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea.

Molecular Properties

Compound Name1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea
PubChem CID140827461
Molecular FormulaC14H32N4O8Si2
Molecular Weight440.60 g/mol
Exact Mass440.18
IUPAC Name1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea
SMILESCO[Si](CNC(=O)NC/C=C/CNC(=O)NC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H32N4O8Si2/c1-21-27(22-2,23-3)11-17-13(19)15-9-7-8-10-16-14(20)18-12-28(24-4,25-5)26-6/h7-8H,9-12H2,1-6H3,(H2,15,17,19)(H2,16,18,20)/b8-7+
InChIKeyPGECXWGZNVKSAF-BQYQJAHWSA-N
XLogP-1.02
TPSA137.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.60
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(trimethoxysilylmethyl)but-3-enamide
CID 87602585
N-(trimethoxysilylmethyl)pent-4-enamide
CID 91315937
methyl (Z)-17-(ethylcarbamoylamino)heptadec-15-enoate
CID 129016866
N-ethyl-5-trimethoxysilylpentanamide;rutherfordium
CID 162463980
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540
sulfane;4-trimethoxysilylbut-2-enoic acid
CID 175419715
4-trimethoxysilylbutanehydrazide
CID 12002198
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
N-(trimethoxysilylmethyl)prop-2-en-1-amine
CID 71365103
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931
2-trimethoxysilylethyl 2-methylpropanoate
CID 59172701
3-(3-trimethoxysilylpropyl)-1,1-bis[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]urea
CID 20743189

Frequently Asked Questions

What is the IUPAC name of 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea?
The IUPAC name of 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea (CID 140827461) is 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea.
What is the SMILES notation for 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea?
The canonical SMILES for 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea is CO[Si](CNC(=O)NC/C=C/CNC(=O)NC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea?
The InChIKey is PGECXWGZNVKSAF-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H32N4O8Si2/c1-21-27(22-2,23-3)11-17-13(19)15-9-7-8-10-16-14(20)18-12-28(24-4,25-5)26-6/h7-8H,9-12H2,1-6H3,(H2,15,17,19)(H2,16,18,20)/b8-7+.
What are the key properties of 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea?
1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea has a molecular weight of 440.60 g/mol, XLogP of -1.02, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea is sourced from PubChem (CID 140827461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).