methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate

C21H29NO3Si — CID 10595430

IUPACmethyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate
SMILESCOC(=O)CC[Si](C)(C)c1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C21H29NO3Si/c1-25-21(24)13-15-26(2,3)20-10-6-18(7-11-20)16-22-14-12-17-4-8-19(23)9-5-17/h4-11,22-23H,12-16H2,1-3H3
InChIKeyVQIPODJPDDNSAO-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.20
Rot. Bonds9

About methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate

methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate (PubChem CID 10595430) has the molecular formula C21H29NO3Si and a molecular weight of 371.55 g/mol. Its IUPAC name is methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate
PubChem CID10595430
Molecular FormulaC21H29NO3Si
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Namemethyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate
SMILESCOC(=O)CC[Si](C)(C)c1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C21H29NO3Si/c1-25-21(24)13-15-26(2,3)20-10-6-18(7-11-20)16-22-14-12-17-4-8-19(23)9-5-17/h4-11,22-23H,12-16H2,1-3H3
InChIKeyVQIPODJPDDNSAO-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
CID 103437611
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
CID 173196459
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
4-[2-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methylamino]ethyl]phenol
CID 69099723
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate
CID 11233903
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate?
The IUPAC name of methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate (CID 10595430) is methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate.
What is the SMILES notation for methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate?
The canonical SMILES for methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate is COC(=O)CC[Si](C)(C)c1ccc(CNCCc2ccc(O)cc2)cc1.
What is the InChIKey of methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate?
The InChIKey is VQIPODJPDDNSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3Si/c1-25-21(24)13-15-26(2,3)20-10-6-18(7-11-20)16-22-14-12-17-4-8-19(23)9-5-17/h4-11,22-23H,12-16H2,1-3H3.
What are the key properties of methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate?
methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate has a molecular weight of 371.55 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate is sourced from PubChem (CID 10595430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).