N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide

C23H41NO3Si2 — CID 167713619

IUPACN-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C23H41NO3Si2/c1-12-21(25)24-16-15-18-13-14-19(26-28(8,9)22(2,3)4)20(17-18)27-29(10,11)23(5,6)7/h12-14,17H,1,15-16H2,2-11H3,(H,24,25)
InChIKeyWCNJBMWYOHMDLK-UHFFFAOYSA-N
MW435.76 g/mol
LogP6.30
Rot. Bonds8

About N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide

N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide (PubChem CID 167713619) has the molecular formula C23H41NO3Si2 and a molecular weight of 435.76 g/mol. Its IUPAC name is N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide
PubChem CID167713619
Molecular FormulaC23H41NO3Si2
Molecular Weight435.76 g/mol
Exact Mass435.26
IUPAC NameN-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C23H41NO3Si2/c1-12-21(25)24-16-15-18-13-14-19(26-28(8,9)22(2,3)4)20(17-18)27-29(10,11)23(5,6)7/h12-14,17H,1,15-16H2,2-11H3,(H,24,25)
InChIKeyWCNJBMWYOHMDLK-UHFFFAOYSA-N
XLogP6.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.76
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3,4-dihydroxyphenyl)-N-dodecylprop-2-enamide
CID 15086374
N-(3,4-Dihydroxyphenethyl)acrylamide
CID 45093032
(4Z,7Z,10Z,12Z,15Z,18Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]henicosa-4,7,10,12,15,18-hexaenamide
CID 53326596
3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 70696705
Nmi 8739
CID 6443994
(E)-3-(3,4-dihydroxyphenyl)-N-[(Z)-octadec-9-enyl]prop-2-enamide
CID 137661542
N-Cinnamoyldopamine
CID 24285615
n-(3,4-Dihydroxyphenethyl)methacrylamide
CID 45093680
N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine
CID 553666
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
Dopamine, 3TBDMS derivative
CID 91718588
N-Methyl-beta,3,4-tris(trimethylsiloxy)benzeneethanamine
CID 631968

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide (CID 167713619) is N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide is C=CC(=O)NCCc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide?
The InChIKey is WCNJBMWYOHMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO3Si2/c1-12-21(25)24-16-15-18-13-14-19(26-28(8,9)22(2,3)4)20(17-18)27-29(10,11)23(5,6)7/h12-14,17H,1,15-16H2,2-11H3,(H,24,25).
What are the key properties of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide?
N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide has a molecular weight of 435.76 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 167713619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).