3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C19H33NO4Si — CID 70696705

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCO[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(6,7)24-13-11-18(21)20-12-10-15-8-9-16(22-4)17(14-15)23-5/h8-9,14H,10-13H2,1-7H3,(H,20,21)
InChIKeyDOKHYTPVYRUPJJ-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.77
Rot. Bonds9

About 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 70696705) has the molecular formula C19H33NO4Si and a molecular weight of 367.56 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID70696705
Molecular FormulaC19H33NO4Si
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCO[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C19H33NO4Si/c1-19(2,3)25(6,7)24-13-11-18(21)20-12-10-15-8-9-16(22-4)17(14-15)23-5/h8-9,14H,10-13H2,1-7H3,(H,20,21)
InChIKeyDOKHYTPVYRUPJJ-UHFFFAOYSA-N
XLogP3.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Rubemamine
CID 1042026
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide
CID 1042025
N-(2-(3,4-Dimethoxyphenyl)ethyl)urea
CID 95288
N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 67318
n-[2-(3,4-Dimethoxyphenyl)ethyl]propanamide
CID 234679
N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 234680
(2E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 707185
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 795486
N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropanecarboxamide
CID 871142
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 871055

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 70696705) is 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCO[Si](C)(C)C(C)(C)C)cc1OC.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is DOKHYTPVYRUPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4Si/c1-19(2,3)25(6,7)24-13-11-18(21)20-12-10-15-8-9-16(22-4)17(14-15)23-5/h8-9,14H,10-13H2,1-7H3,(H,20,21).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 367.56 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 70696705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).