methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate

C17H32N2O5Si — CID 10595472

IUPACmethyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate
SMILESCOC(=O)NCC#CC(=O)NC(CO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N2O5Si/c1-17(2,3)25(5,6)24-12-8-9-14(13-20)19-15(21)10-7-11-18-16(22)23-4/h14,20H,8-9,11-13H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyKNPYJOZVJFYJNO-UHFFFAOYSA-N
MW372.54 g/mol
LogP1.62
Rot. Bonds8

About methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate

methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate (PubChem CID 10595472) has the molecular formula C17H32N2O5Si and a molecular weight of 372.54 g/mol. Its IUPAC name is methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate
PubChem CID10595472
Molecular FormulaC17H32N2O5Si
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC Namemethyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate
SMILESCOC(=O)NCC#CC(=O)NC(CO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32N2O5Si/c1-17(2,3)25(5,6)24-12-8-9-14(13-20)19-15(21)10-7-11-18-16(22)23-4/h14,20H,8-9,11-13H2,1-6H3,(H,18,22)(H,19,21)
InChIKeyKNPYJOZVJFYJNO-UHFFFAOYSA-N
XLogP1.62
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate?
The IUPAC name of methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate (CID 10595472) is methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate.
What is the SMILES notation for methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate?
The canonical SMILES for methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate is COC(=O)NCC#CC(=O)NC(CO)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate?
The InChIKey is KNPYJOZVJFYJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5Si/c1-17(2,3)25(5,6)24-12-8-9-14(13-20)19-15(21)10-7-11-18-16(22)23-4/h14,20H,8-9,11-13H2,1-6H3,(H,18,22)(H,19,21).
What are the key properties of methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate?
methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate has a molecular weight of 372.54 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-yl]amino]-4-oxobut-2-ynyl]carbamate is sourced from PubChem (CID 10595472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).