tert-butyl 2-[propyl(undecyl)amino]acetate

C20H41NO2 — CID 146733581

IUPACtert-butyl 2-[propyl(undecyl)amino]acetate
SMILESCCCCCCCCCCCN(CCC)CC(=O)OC(C)(C)C
InChIInChI=1S/C20H41NO2/c1-6-8-9-10-11-12-13-14-15-17-21(16-7-2)18-19(22)23-20(3,4)5/h6-18H2,1-5H3
InChIKeyRIQOQSYEAQXPKV-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.57
Rot. Bonds14

About tert-butyl 2-[propyl(undecyl)amino]acetate

tert-butyl 2-[propyl(undecyl)amino]acetate (PubChem CID 146733581) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is tert-butyl 2-[propyl(undecyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[propyl(undecyl)amino]acetate
PubChem CID146733581
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Nametert-butyl 2-[propyl(undecyl)amino]acetate
SMILESCCCCCCCCCCCN(CCC)CC(=O)OC(C)(C)C
InChIInChI=1S/C20H41NO2/c1-6-8-9-10-11-12-13-14-15-17-21(16-7-2)18-19(22)23-20(3,4)5/h6-18H2,1-5H3
InChIKeyRIQOQSYEAQXPKV-UHFFFAOYSA-N
XLogP5.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]propyl hexanoate
CID 129286483
pentyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]butanoate
CID 129286608
tert-butyl 2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-propylamino]ethyl-propylamino]acetate;pentan-1-amine;propane
CID 145080962
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
[(Z)-pent-2-enyl] 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]butanoate
CID 142498904
tert-butyl 2-[2-[bis[(Z)-non-3-enyl]amino]ethyl-[(Z)-non-3-enyl]amino]acetate
CID 142498872
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-oxo-2-(pentylamino)ethyl]amino]ethyl]amino]acetate
CID 18778829
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[heptyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid;methyl 2-[heptyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetate
CID 160842224
tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
CID 113226677
tert-butyl 2-[2-[[decyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate;carbon dioxide
CID 161153616

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[propyl(undecyl)amino]acetate?
The IUPAC name of tert-butyl 2-[propyl(undecyl)amino]acetate (CID 146733581) is tert-butyl 2-[propyl(undecyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[propyl(undecyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[propyl(undecyl)amino]acetate is CCCCCCCCCCCN(CCC)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[propyl(undecyl)amino]acetate?
The InChIKey is RIQOQSYEAQXPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-6-8-9-10-11-12-13-14-15-17-21(16-7-2)18-19(22)23-20(3,4)5/h6-18H2,1-5H3.
What are the key properties of tert-butyl 2-[propyl(undecyl)amino]acetate?
tert-butyl 2-[propyl(undecyl)amino]acetate has a molecular weight of 327.55 g/mol, XLogP of 5.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[propyl(undecyl)amino]acetate is sourced from PubChem (CID 146733581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).