N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide

C39H85NO3Si4 — CID 123494258

IUPACN,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide
SMILESC=CC(=O)N(CCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC)CCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC
InChIInChI=1S/C39H85NO3Si4/c1-20-25-33-44(12,13)36(6,7)42-46(16,17)38(10,23-4)29-27-31-40(35(41)22-3)32-28-30-39(11,24-5)47(18,19)43-37(8,9)45(14,15)34-26-21-2/h22H,3,20-21,23-34H2,1-2,4-19H3
InChIKeyMNJMAKFWUMWHBZ-UHFFFAOYSA-N
MW728.46 g/mol
LogP13.00
Rot. Bonds25

About N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide

N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide (PubChem CID 123494258) has the molecular formula C39H85NO3Si4 and a molecular weight of 728.46 g/mol. Its IUPAC name is N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide.

Molecular Properties

Compound NameN,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide
PubChem CID123494258
Molecular FormulaC39H85NO3Si4
Molecular Weight728.46 g/mol
Exact Mass727.56
IUPAC NameN,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide
SMILESC=CC(=O)N(CCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC)CCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC
InChIInChI=1S/C39H85NO3Si4/c1-20-25-33-44(12,13)36(6,7)42-46(16,17)38(10,23-4)29-27-31-40(35(41)22-3)32-28-30-39(11,24-5)47(18,19)43-37(8,9)45(14,15)34-26-21-2/h22H,3,20-21,23-34H2,1-2,4-19H3
InChIKeyMNJMAKFWUMWHBZ-UHFFFAOYSA-N
XLogP13.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.46
LogP ≤ 513.00
H-Bond Donors ≤ 50
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,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide
CID 123542524
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
CID 140502794
CID 140502794
pentyl 2-[pentyl(prop-2-enoyl)amino]acetate
CID 146324502
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide?
The IUPAC name of N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide (CID 123494258) is N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide.
What is the SMILES notation for N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide?
The canonical SMILES for N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide is C=CC(=O)N(CCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC)CCCC(C)(CC)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC.
What is the InChIKey of N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide?
The InChIKey is MNJMAKFWUMWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H85NO3Si4/c1-20-25-33-44(12,13)36(6,7)42-46(16,17)38(10,23-4)29-27-31-40(35(41)22-3)32-28-30-39(11,24-5)47(18,19)43-37(8,9)45(14,15)34-26-21-2/h22H,3,20-21,23-34H2,1-2,4-19H3.
What are the key properties of N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide?
N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide has a molecular weight of 728.46 g/mol, XLogP of 13.00, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylhexyl]prop-2-enamide is sourced from PubChem (CID 123494258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).