1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea

C22H42N2O2Si — CID 15037084

IUPAC1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea
SMILESCCCCCCCCCCCCC(NC(=O)NC)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C22H42N2O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-20(24-22(25)23-2)19-17-21(26-18-19)27(3,4)5/h17-18,20H,6-16H2,1-5H3,(H2,23,24,25)
InChIKeyTVGRXLHZYWQAML-UHFFFAOYSA-N
MW394.68 g/mol
LogP6.11
Rot. Bonds14

About 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea

1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea (PubChem CID 15037084) has the molecular formula C22H42N2O2Si and a molecular weight of 394.68 g/mol. Its IUPAC name is 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea
PubChem CID15037084
Molecular FormulaC22H42N2O2Si
Molecular Weight394.68 g/mol
Exact Mass394.30
IUPAC Name1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea
SMILESCCCCCCCCCCCCC(NC(=O)NC)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C22H42N2O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-20(24-22(25)23-2)19-17-21(26-18-19)27(3,4)5/h17-18,20H,6-16H2,1-5H3,(H2,23,24,25)
InChIKeyTVGRXLHZYWQAML-UHFFFAOYSA-N
XLogP6.11
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]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

1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
1-(5-trimethylsilylfuran-3-yl)hexan-1-ol
CID 70413121
1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
CID 15037068
1-(5-trimethylsilylfuran-3-yl)tridecyl N-[(1R)-1-phenylethyl]carbamate
CID 67902996
1-(5-trimethylsilylfuran-3-yl)tridecyl N-(1-phenylethyl)carbamate
CID 67903001
N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
CID 115846501
N-methyl-1-(5-methylfuran-3-yl)nonan-1-amine
CID 115835205
2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid
CID 70373383
N-ethyl-1-(5-methylfuran-3-yl)decan-1-amine
CID 115831656
1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]tridecyl acetate
CID 15723411
1-phenylnonylcarbamic acid
CID 67252081
1-phenyloctylcarbamic acid
CID 90271204

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea?
The IUPAC name of 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea (CID 15037084) is 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea?
The canonical SMILES for 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea is CCCCCCCCCCCCC(NC(=O)NC)c1coc([Si](C)(C)C)c1.
What is the InChIKey of 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea?
The InChIKey is TVGRXLHZYWQAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2Si/c1-6-7-8-9-10-11-12-13-14-15-16-20(24-22(25)23-2)19-17-21(26-18-19)27(3,4)5/h17-18,20H,6-16H2,1-5H3,(H2,23,24,25).
What are the key properties of 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea?
1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea has a molecular weight of 394.68 g/mol, XLogP of 6.11, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea is sourced from PubChem (CID 15037084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).