tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H29NO6 — CID 121383579

IUPACtert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCOCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO6/c1-14(2,3)21-12(18)16(8-7-10-20-11-9-17)13(19)22-15(4,5)6/h17H,7-11H2,1-6H3
InChIKeyNWWWUPUMKIRXOC-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.56
Rot. Bonds6

About tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 121383579) has the molecular formula C15H29NO6 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID121383579
Molecular FormulaC15H29NO6
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Nametert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCOCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO6/c1-14(2,3)21-12(18)16(8-7-10-20-11-9-17)13(19)22-15(4,5)6/h17H,7-11H2,1-6H3
InChIKeyNWWWUPUMKIRXOC-UHFFFAOYSA-N
XLogP2.56
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175728931
tert-butyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171589315
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl tert-butyl carbonate
CID 23729656
tert-butyl N-(6-bromohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10738534
tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 175415443
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
CID 158283249
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]-N-methylcarbamate
CID 172868636
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl 2-[5-(2-hydroxyethoxy)pentoxy]acetate;tert-butyl 2-(5-propoxypentoxy)acetate
CID 160990095
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]propanoate;tert-butyl 3-[5-(2-hydroxyethoxy)pentoxy]propanoate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 165098643
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 121383579) is tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(CCCOCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is NWWWUPUMKIRXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO6/c1-14(2,3)21-12(18)16(8-7-10-20-11-9-17)13(19)22-15(4,5)6/h17H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 121383579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).