methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate

C25H33NO5Si — CID 139842992

IUPACmethyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
SMILESCOC=C(Oc1cc(C(C)=NOC[Si](C)(C)c2cccc(C)c2C)ccc1C)C(=O)OC
InChIInChI=1S/C25H33NO5Si/c1-17-10-9-11-24(19(17)3)32(7,8)16-30-26-20(4)21-13-12-18(2)22(14-21)31-23(15-28-5)25(27)29-6/h9-15H,16H2,1-8H3
InChIKeyYHYISBTUYBQHGA-UHFFFAOYSA-N
MW455.63 g/mol
LogP4.55
Rot. Bonds9

About methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate

methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate (PubChem CID 139842992) has the molecular formula C25H33NO5Si and a molecular weight of 455.63 g/mol. Its IUPAC name is methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
PubChem CID139842992
Molecular FormulaC25H33NO5Si
Molecular Weight455.63 g/mol
Exact Mass455.21
IUPAC Namemethyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
SMILESCOC=C(Oc1cc(C(C)=NOC[Si](C)(C)c2cccc(C)c2C)ccc1C)C(=O)OC
InChIInChI=1S/C25H33NO5Si/c1-17-10-9-11-24(19(17)3)32(7,8)16-30-26-20(4)21-13-12-18(2)22(14-21)31-23(15-28-5)25(27)29-6/h9-15H,16H2,1-8H3
InChIKeyYHYISBTUYBQHGA-UHFFFAOYSA-N
XLogP4.55
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
The IUPAC name of methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate (CID 139842992) is methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate is COC=C(Oc1cc(C(C)=NOC[Si](C)(C)c2cccc(C)c2C)ccc1C)C(=O)OC.
What is the InChIKey of methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
The InChIKey is YHYISBTUYBQHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5Si/c1-17-10-9-11-24(19(17)3)32(7,8)16-30-26-20(4)21-13-12-18(2)22(14-21)31-23(15-28-5)25(27)29-6/h9-15H,16H2,1-8H3.
What are the key properties of methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate has a molecular weight of 455.63 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate is sourced from PubChem (CID 139842992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).