ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate

C19H23NO3Se — CID 101354301

IUPACethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate
SMILESCCOC(=O)C(C)(C[Se]c1ccccc1)NCc1ccccc1O
InChIInChI=1S/C19H23NO3Se/c1-3-23-18(22)19(2,14-24-16-10-5-4-6-11-16)20-13-15-9-7-8-12-17(15)21/h4-12,20-21H,3,13-14H2,1-2H3
InChIKeyVZCHACZZVNZWCC-UHFFFAOYSA-N
MW392.36 g/mol
LogP2.25
Rot. Bonds8

About ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate

ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate (PubChem CID 101354301) has the molecular formula C19H23NO3Se and a molecular weight of 392.36 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate
PubChem CID101354301
Molecular FormulaC19H23NO3Se
Molecular Weight392.36 g/mol
Exact Mass393.08
IUPAC Nameethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate
SMILESCCOC(=O)C(C)(C[Se]c1ccccc1)NCc1ccccc1O
InChIInChI=1S/C19H23NO3Se/c1-3-23-18(22)19(2,14-24-16-10-5-4-6-11-16)20-13-15-9-7-8-12-17(15)21/h4-12,20-21H,3,13-14H2,1-2H3
InChIKeyVZCHACZZVNZWCC-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
CID 62534926
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CID 174179021
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
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2-[(3-methylpentan-3-ylamino)methyl]phenol
CID 115630759
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
CID 80740415
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
methyl 4-(2-hydroxyphenyl)-2,2-dimethylbutanoate
CID 146319114
ethyl 2-ethyl-2-phenylselanylpentanoate
CID 101460067
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487856

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate?
The IUPAC name of ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate (CID 101354301) is ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate.
What is the SMILES notation for ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate?
The canonical SMILES for ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate is CCOC(=O)C(C)(C[Se]c1ccccc1)NCc1ccccc1O.
What is the InChIKey of ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate?
The InChIKey is VZCHACZZVNZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3Se/c1-3-23-18(22)19(2,14-24-16-10-5-4-6-11-16)20-13-15-9-7-8-12-17(15)21/h4-12,20-21H,3,13-14H2,1-2H3.
What are the key properties of ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate?
ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate has a molecular weight of 392.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate is sourced from PubChem (CID 101354301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).