tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate

C41H88N2O4Si2 — CID 171814668

IUPACtert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate
SMILESCCCCCCCCC(CN(CCCCNC(=O)OC(C)(C)C)CC(CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H88N2O4Si2/c1-16-18-20-22-24-26-30-36(46-48(12,13)40(6,7)8)34-43(33-29-28-32-42-38(44)45-39(3,4)5)35-37(31-27-25-23-21-19-17-2)47-49(14,15)41(9,10)11/h36-37H,16-35H2,1-15H3,(H,42,44)
InChIKeyBTXCEYPJKZACBP-UHFFFAOYSA-N
MW729.34 g/mol
LogP12.88
Rot. Bonds27

About tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate

tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate (PubChem CID 171814668) has the molecular formula C41H88N2O4Si2 and a molecular weight of 729.34 g/mol. Its IUPAC name is tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate
PubChem CID171814668
Molecular FormulaC41H88N2O4Si2
Molecular Weight729.34 g/mol
Exact Mass728.63
IUPAC Nametert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate
SMILESCCCCCCCCC(CN(CCCCNC(=O)OC(C)(C)C)CC(CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H88N2O4Si2/c1-16-18-20-22-24-26-30-36(46-48(12,13)40(6,7)8)34-43(33-29-28-32-42-38(44)45-39(3,4)5)35-37(31-27-25-23-21-19-17-2)47-49(14,15)41(9,10)11/h36-37H,16-35H2,1-15H3,(H,42,44)
InChIKeyBTXCEYPJKZACBP-UHFFFAOYSA-N
XLogP12.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.34
LogP ≤ 512.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxy-8-[[2-[tert-butyl(dimethyl)silyl]oxy-7-carboxyheptyl]-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]octanoic acid
CID 171814490
6-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-hydroxyhexanoic acid
CID 140916956
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propane-1-thiol
CID 172557041
heptadecan-9-yl 7-[tert-butyl(dimethyl)silyl]oxy-8-[[2-[tert-butyl(dimethyl)silyl]oxy-6-oxo-6-undecoxyhexyl]-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]amino]octanoate
CID 172557022
[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[5-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]butylamino]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
CID 171814456
[6-[tert-butyl(dimethyl)silyl]oxy-7-[4-[[2-[[2-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]amino]butylamino]-2-oxoethyl]-methylamino]acetyl]amino]butyl-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]heptyl] 2-octyldecanoate
CID 171814531
[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate
CID 171814510
tert-butyl N-nonylcarbamate;ethane
CID 168941348
5-[4-[[2-[tert-butyl(dimethyl)silyl]oxy-7-(2-octyldecanoyloxy)heptyl]-[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]amino]butylamino]-3-hydroxy-3-methyl-5-oxopentanoic acid
CID 171814495
[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate
CID 171814727
tert-butyl N-[2-(diheptylamino)ethyl]carbamate
CID 86645270
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate (CID 171814668) is tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate is CCCCCCCCC(CN(CCCCNC(=O)OC(C)(C)C)CC(CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate?
The InChIKey is BTXCEYPJKZACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H88N2O4Si2/c1-16-18-20-22-24-26-30-36(46-48(12,13)40(6,7)8)34-43(33-29-28-32-42-38(44)45-39(3,4)5)35-37(31-27-25-23-21-19-17-2)47-49(14,15)41(9,10)11/h36-37H,16-35H2,1-15H3,(H,42,44).
What are the key properties of tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate?
tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate has a molecular weight of 729.34 g/mol, XLogP of 12.88, 27 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydecyl]amino]butyl]carbamate is sourced from PubChem (CID 171814668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).