tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate

C16H23NO6 — CID 126635727

IUPACtert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOc1ccc(C=O)cc1O
InChIInChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-6-7-21-8-9-22-14-5-4-12(11-18)10-13(14)19/h4-5,10-11,19H,6-9H2,1-3H3,(H,17,20)
InChIKeyIPOQYNONECKGHD-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.12
Rot. Bonds8

About tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate (PubChem CID 126635727) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate
PubChem CID126635727
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Nametert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOc1ccc(C=O)cc1O
InChIInChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-6-7-21-8-9-22-14-5-4-12(11-18)10-13(14)19/h4-5,10-11,19H,6-9H2,1-3H3,(H,17,20)
InChIKeyIPOQYNONECKGHD-UHFFFAOYSA-N
XLogP2.12
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate
CID 59174464
5-fluoro-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]benzoic acid
CID 166174887
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695945
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
tert-butyl N-[2-[4-[(1E,6E)-7-(3,4-dimethoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]ethyl]carbamate
CID 126613894
tert-butyl N-[2-[2-[2-[2-(6-chloropyrimidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140799488

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate (CID 126635727) is tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOc1ccc(C=O)cc1O.
What is the InChIKey of tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate?
The InChIKey is IPOQYNONECKGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-6-7-21-8-9-22-14-5-4-12(11-18)10-13(14)19/h4-5,10-11,19H,6-9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate has a molecular weight of 325.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-formyl-2-hydroxyphenoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 126635727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).