tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

C22H40N2O4Si — CID 67329154

IUPACtert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCOCC(c1cccc(N)c1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H40N2O4Si/c1-21(2,3)28-20(25)24(13-14-27-29(8,9)22(4,5)6)19(16-26-7)17-11-10-12-18(23)15-17/h10-12,15,19H,13-14,16,23H2,1-9H3
InChIKeyBITLQTLXRNDHDI-UHFFFAOYSA-N
MW424.66 g/mol
LogP5.22
Rot. Bonds8

About tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (PubChem CID 67329154) has the molecular formula C22H40N2O4Si and a molecular weight of 424.66 g/mol. Its IUPAC name is tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
PubChem CID67329154
Molecular FormulaC22H40N2O4Si
Molecular Weight424.66 g/mol
Exact Mass424.28
IUPAC Nametert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCOCC(c1cccc(N)c1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C22H40N2O4Si/c1-21(2,3)28-20(25)24(13-14-27-29(8,9)22(4,5)6)19(16-26-7)17-11-10-12-18(23)15-17/h10-12,15,19H,13-14,16,23H2,1-9H3
InChIKeyBITLQTLXRNDHDI-UHFFFAOYSA-N
XLogP5.22
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (CID 67329154) is tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is COCC(c1cccc(N)c1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The InChIKey is BITLQTLXRNDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4Si/c1-21(2,3)28-20(25)24(13-14-27-29(8,9)22(4,5)6)19(16-26-7)17-11-10-12-18(23)15-17/h10-12,15,19H,13-14,16,23H2,1-9H3.
What are the key properties of tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate has a molecular weight of 424.66 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-aminophenyl)-2-methoxyethyl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is sourced from PubChem (CID 67329154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).