methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate

C23H29NO5Si — CID 139843008

IUPACmethyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
SMILESCOC=C(Oc1cc(C(C)=NOC[Si](C)(C)c2ccccc2)ccc1C)C(=O)OC
InChIInChI=1S/C23H29NO5Si/c1-17-12-13-19(14-21(17)29-22(15-26-3)23(25)27-4)18(2)24-28-16-30(5,6)20-10-8-7-9-11-20/h7-15H,16H2,1-6H3
InChIKeyOIADLJVUBYPJFE-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.93
Rot. Bonds9

About methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate

methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate (PubChem CID 139843008) has the molecular formula C23H29NO5Si and a molecular weight of 427.57 g/mol. Its IUPAC name is methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
PubChem CID139843008
Molecular FormulaC23H29NO5Si
Molecular Weight427.57 g/mol
Exact Mass427.18
IUPAC Namemethyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
SMILESCOC=C(Oc1cc(C(C)=NOC[Si](C)(C)c2ccccc2)ccc1C)C(=O)OC
InChIInChI=1S/C23H29NO5Si/c1-17-12-13-19(14-21(17)29-22(15-26-3)23(25)27-4)18(2)24-28-16-30(5,6)20-10-8-7-9-11-20/h7-15H,16H2,1-6H3
InChIKeyOIADLJVUBYPJFE-UHFFFAOYSA-N
XLogP3.93
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.93
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-[[dimethyl(phenyl)silyl]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

Related Compounds

methyl 2-[5-[N-[[(2,3-dimethylphenyl)-dimethylsilyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 139842992
methyl (Z)-2-(5-amino-2-methylphenoxy)-3-methoxyprop-2-enoate
CID 163608092
methyl 3-methoxy-2-[2-methyl-5-(4-methylphenyl)phenoxy]prop-2-enoate
CID 139879842
methyl (Z)-2-(5-acetyl-2-methylphenoxy)-3-hydroxyprop-2-enoate
CID 70257408
methyl (Z)-3-methoxy-2-[5-(3-methoxypyrazol-1-yl)-2-methylphenoxy]prop-2-enoate
CID 162486622
methyl (Z)-3-methoxy-2-[5-[4-(methoxymethyl)pyrazol-1-yl]-2-methylphenoxy]prop-2-enoate
CID 162486682
methyl (Z)-2-[5-[3-[chloro(difluoro)methyl]pyrazol-1-yl]-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 162486657
methyl 2-[2-methyl-5-(2-phenylmethoxyiminoethyl)phenoxy]but-2-enoate
CID 173287399
methyl (E)-3-methoxy-2-[2-(3-pyrimidin-2-yloxyphenoxy)phenoxy]prop-2-enoate
CID 69019717
methyl (Z)-2-[5-(4,4-dimethylcyclohexyl)-2-methylphenoxy]-3-methoxyprop-2-enoate
CID 164834256
methyl (E)-3-methoxy-2-[2-[[2-methoxy-5-[(E)-C-methyl-N-(2-phenylethoxy)carbonimidoyl]phenoxy]methyl]phenyl]prop-2-enoate
CID 88531340
methyl 3-methoxy-2-[2-[[2-methoxy-5-[C-methyl-N-(2-phenylethoxy)carbonimidoyl]phenoxy]methyl]phenyl]prop-2-enoate
CID 123372954

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
The IUPAC name of methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate (CID 139843008) is methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate is COC=C(Oc1cc(C(C)=NOC[Si](C)(C)c2ccccc2)ccc1C)C(=O)OC.
What is the InChIKey of methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
The InChIKey is OIADLJVUBYPJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5Si/c1-17-12-13-19(14-21(17)29-22(15-26-3)23(25)27-4)18(2)24-28-16-30(5,6)20-10-8-7-9-11-20/h7-15H,16H2,1-6H3.
What are the key properties of methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate?
methyl 2-[5-[N-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate has a molecular weight of 427.57 g/mol, XLogP of 3.93, 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-[[dimethyl(phenyl)silyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]-3-methoxyprop-2-enoate is sourced from PubChem (CID 139843008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).