tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate

C19H37NO6 — CID 167464617

IUPACtert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOC1CCC(OCCN)CC1
InChIInChI=1S/C19H37NO6/c1-19(2,3)26-18(21)8-10-22-12-13-23-14-15-25-17-6-4-16(5-7-17)24-11-9-20/h16-17H,4-15,20H2,1-3H3
InChIKeyYPCIKUNIMLWTMG-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.05
Rot. Bonds13

About tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate

tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate (PubChem CID 167464617) has the molecular formula C19H37NO6 and a molecular weight of 375.51 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate
PubChem CID167464617
Molecular FormulaC19H37NO6
Molecular Weight375.51 g/mol
Exact Mass375.26
IUPAC Nametert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCOC1CCC(OCCN)CC1
InChIInChI=1S/C19H37NO6/c1-19(2,3)26-18(21)8-10-22-12-13-23-14-15-25-17-6-4-16(5-7-17)24-11-9-20/h16-17H,4-15,20H2,1-3H3
InChIKeyYPCIKUNIMLWTMG-UHFFFAOYSA-N
XLogP2.05
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate
CID 170141063
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 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
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-[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-[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-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-[3-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 163296941
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl 3-[2-(6-methylheptoxy)ethoxy]propanoate
CID 170192834
tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoate
CID 91757752
tert-butyl 3-(6-bromohexoxy)propanoate
CID 165436316

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate (CID 167464617) is tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate is CC(C)(C)OC(=O)CCOCCOCCOC1CCC(OCCN)CC1.
What is the InChIKey of tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate?
The InChIKey is YPCIKUNIMLWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO6/c1-19(2,3)26-18(21)8-10-22-12-13-23-14-15-25-17-6-4-16(5-7-17)24-11-9-20/h16-17H,4-15,20H2,1-3H3.
What are the key properties of tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate?
tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate has a molecular weight of 375.51 g/mol, XLogP of 2.05, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate is sourced from PubChem (CID 167464617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).