tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate

C14H27NO6 — CID 166149013

IUPACtert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOCCNC=O
InChIInChI=1S/C14H27NO6/c1-14(2,3)21-13(17)4-6-18-8-10-20-11-9-19-7-5-15-12-16/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyIRVSLBDWBGQQFL-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.51
Rot. Bonds13

About tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate

tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate (PubChem CID 166149013) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
PubChem CID166149013
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Nametert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOCCNC=O
InChIInChI=1S/C14H27NO6/c1-14(2,3)21-13(17)4-6-18-8-10-20-11-9-19-7-5-15-12-16/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyIRVSLBDWBGQQFL-UHFFFAOYSA-N
XLogP0.51
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
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 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]propanoate
CID 159291987
tert-butyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
CID 90134163
tert-butyl 3-[2-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 90123742
tert-butyl 3-[2-[2-[2-[[4-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobut-2-ynoyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 135353032
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 4-[2-[2-[2-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 174777840
tert-butyl 3-[2-[2-[[3,5-bis[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethylcarbamoyl]benzoyl]amino]ethoxy]ethoxy]propanoate
CID 57103307

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate (CID 166149013) is tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate is CC(C)(C)OC(=O)CCOCCOCCOCCNC=O.
What is the InChIKey of tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is IRVSLBDWBGQQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6/c1-14(2,3)21-13(17)4-6-18-8-10-20-11-9-19-7-5-15-12-16/h12H,4-11H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate?
tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 305.37 g/mol, XLogP of 0.51, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 166149013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).