2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide

C26H30Cl2N2O2Si — CID 10720224

IUPAC2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1Cl
InChIInChI=1S/C26H30Cl2N2O2Si/c1-26(2,3)33(19-11-7-5-8-12-19,20-13-9-6-10-14-20)32-18-21-22(27)15-16-23(25(21)28)30(4)24(31)17-29/h5-16H,17-18,29H2,1-4H3
InChIKeyOYMNDLMNOALWQZ-UHFFFAOYSA-N
MW501.53 g/mol
LogP4.99
Rot. Bonds7

About 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide

2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide (PubChem CID 10720224) has the molecular formula C26H30Cl2N2O2Si and a molecular weight of 501.53 g/mol. Its IUPAC name is 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
PubChem CID10720224
Molecular FormulaC26H30Cl2N2O2Si
Molecular Weight501.53 g/mol
Exact Mass500.15
IUPAC Name2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1Cl
InChIInChI=1S/C26H30Cl2N2O2Si/c1-26(2,3)33(19-11-7-5-8-12-19,20-13-9-6-10-14-20)32-18-21-22(27)15-16-23(25(21)28)30(4)24(31)17-29/h5-16H,17-18,29H2,1-4H3
InChIKeyOYMNDLMNOALWQZ-UHFFFAOYSA-N
XLogP4.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
CID 67596093
2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide
CID 57025898
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]naphthalen-2-yl]-N-methylcarbamate
CID 10440239
N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide
CID 18321822
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethoxycarbonylbenzoic acid
CID 10766489
4-[(E)-3-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 18321794
[2,4-bis(2-chlorophenyl)-1H-pyrrol-3-yl]methoxy-tert-butyl-diphenylsilane
CID 172860203
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
ethyl (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-(2-oxopropyl)pentanoate
CID 102034226
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide (CID 10720224) is 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide is CN(C(=O)CN)c1ccc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1Cl.
What is the InChIKey of 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
The InChIKey is OYMNDLMNOALWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N2O2Si/c1-26(2,3)33(19-11-7-5-8-12-19,20-13-9-6-10-14-20)32-18-21-22(27)15-16-23(25(21)28)30(4)24(31)17-29/h5-16H,17-18,29H2,1-4H3.
What are the key properties of 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide?
2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide has a molecular weight of 501.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide is sourced from PubChem (CID 10720224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).