tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

C27H53N3O6Si — CID 177439005

IUPACtert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
SMILESCCCC[C@H](CC(=O)CCCO[Si](C)(C)C(C)(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H53N3O6Si/c1-13-14-16-20(19-21(31)17-15-18-34-37(11,12)27(8,9)10)28-22(29-23(32)35-25(2,3)4)30-24(33)36-26(5,6)7/h20H,13-19H2,1-12H3,(H2,28,29,30,32,33)/t20-/m1/s1
InChIKeyFLRYGLSTSOHMGP-HXUWFJFHSA-N
MW543.82 g/mol
LogP6.71
Rot. Bonds11

About tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate (PubChem CID 177439005) has the molecular formula C27H53N3O6Si and a molecular weight of 543.82 g/mol. Its IUPAC name is tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
PubChem CID177439005
Molecular FormulaC27H53N3O6Si
Molecular Weight543.82 g/mol
Exact Mass543.37
IUPAC Nametert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
SMILESCCCC[C@H](CC(=O)CCCO[Si](C)(C)C(C)(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H53N3O6Si/c1-13-14-16-20(19-21(31)17-15-18-34-37(11,12)27(8,9)10)28-22(29-23(32)35-25(2,3)4)30-24(33)36-26(5,6)7/h20H,13-19H2,1-12H3,(H2,28,29,30,32,33)/t20-/m1/s1
InChIKeyFLRYGLSTSOHMGP-HXUWFJFHSA-N
XLogP6.71
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.82
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
CID 101386007
tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
CID 164575135
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxononan-2-yl]carbamate
CID 11523916
tert-butyl (NE)-N-[[(2S,5R)-2,5-bis[6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexyl]pyrrolidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 11814700
tert-butyl (NZ)-N-[[(2R,5S)-2,5-bis[6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexyl]pyrrolidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 23281677
tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 11752411
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
tert-butyl N-[N'-[(4S,5R)-5-hydroxy-1,1-dimethoxydecan-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 25223344
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The IUPAC name of tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate (CID 177439005) is tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate.
What is the SMILES notation for tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The canonical SMILES for tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate is CCCC[C@H](CC(=O)CCCO[Si](C)(C)C(C)(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The InChIKey is FLRYGLSTSOHMGP-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H53N3O6Si/c1-13-14-16-20(19-21(31)17-15-18-34-37(11,12)27(8,9)10)28-22(29-23(32)35-25(2,3)4)30-24(33)36-26(5,6)7/h20H,13-19H2,1-12H3,(H2,28,29,30,32,33)/t20-/m1/s1.
What are the key properties of tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate has a molecular weight of 543.82 g/mol, XLogP of 6.71, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[N'-[(5R)-10-[tert-butyl(dimethyl)silyl]oxy-7-oxodecan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate is sourced from PubChem (CID 177439005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).