methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate

C23H30FNO3Si — CID 138965368

IUPACmethyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H](Nc1ccc(F)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H30FNO3Si/c1-16(22(26)27-5)21(25-19-12-10-18(24)11-13-19)17-8-14-20(15-9-17)28-29(6,7)23(2,3)4/h8-15,21,25H,1H2,2-7H3/t21-/m0/s1
InChIKeyRHNLBQOZMMPPCJ-NRFANRHFSA-N
MW415.58 g/mol
LogP6.09
Rot. Bonds7

About methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate

methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate (PubChem CID 138965368) has the molecular formula C23H30FNO3Si and a molecular weight of 415.58 g/mol. Its IUPAC name is methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate
PubChem CID138965368
Molecular FormulaC23H30FNO3Si
Molecular Weight415.58 g/mol
Exact Mass415.20
IUPAC Namemethyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H](Nc1ccc(F)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H30FNO3Si/c1-16(22(26)27-5)21(25-19-12-10-18(24)11-13-19)17-8-14-20(15-9-17)28-29(6,7)23(2,3)4/h8-15,21,25H,1H2,2-7H3/t21-/m0/s1
InChIKeyRHNLBQOZMMPPCJ-NRFANRHFSA-N
XLogP6.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-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

tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate
CID 118155417
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
methyl 2-[(4-methoxyanilino)-naphthalen-2-ylmethyl]prop-2-enoate
CID 166436763
methyl 2-[(diphenylphosphorylamino)-(4-fluorophenyl)methyl]prop-2-enoate
CID 11407198
methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate
CID 132560936
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
methyl 2-[(R)-(4-ethynylanilino)-phenylmethyl]prop-2-enoate
CID 154719271
2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
CID 175404541

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate (CID 138965368) is methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate is C=C(C(=O)OC)[C@H](Nc1ccc(F)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate?
The InChIKey is RHNLBQOZMMPPCJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30FNO3Si/c1-16(22(26)27-5)21(25-19-12-10-18(24)11-13-19)17-8-14-20(15-9-17)28-29(6,7)23(2,3)4/h8-15,21,25H,1H2,2-7H3/t21-/m0/s1.
What are the key properties of methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate?
methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate has a molecular weight of 415.58 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate is sourced from PubChem (CID 138965368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).