ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate

C25H41NO4 — CID 78164720

IUPACethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C25H41NO4/c1-7-29-24(27)19-26-25(28)30-18-17-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h11,13,15,17H,7-10,12,14,16,18-19H2,1-6H3,(H,26,28)
InChIKeyKIIVQAMARUPNIS-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.42
Rot. Bonds14

About ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate

ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate (PubChem CID 78164720) has the molecular formula C25H41NO4 and a molecular weight of 419.61 g/mol. Its IUPAC name is ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate
PubChem CID78164720
Molecular FormulaC25H41NO4
Molecular Weight419.61 g/mol
Exact Mass419.30
IUPAC Nameethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C25H41NO4/c1-7-29-24(27)19-26-25(28)30-18-17-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h11,13,15,17H,7-10,12,14,16,18-19H2,1-6H3,(H,26,28)
InChIKeyKIIVQAMARUPNIS-UHFFFAOYSA-N
XLogP6.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate with MolForge

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Related Compounds

Cyclopenten-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 89761223
Cyclohex-2-en-1-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 12839989
[(1E)-cycloocten-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134870769
Cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134892428
[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134968181
Glycine, N-allyloxycarbonyl-, pent-10-enyl ester
CID 91691244
Glycine, N-allyloxycarbonyl-, tetradec-11-enyl ester
CID 91691260
2-Cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11346234
3-Methylbut-2-en-1-yl 2-{[(tert-butoxy)carbonyl]amino}acetate
CID 11356946
N,N-dimethyl-N-geranyloxycarbonylmethyl-N-(3-(acetylamino)propyl)ammonium chloride
CID 12084268
methyl 2-[[(2E,6E)-2,6-dimethylnona-2,6,8-trienoxy]carbonylamino]acetate
CID 59805028
methyl 2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23-hexamethylpentacosa-2,6,8,10,12,14,16,18,20,22,24-undecaenoxy]carbonylamino]acetate
CID 59805041

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate?
The IUPAC name of ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate (CID 78164720) is ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate.
What is the SMILES notation for ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate?
The canonical SMILES for ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate is CCOC(=O)CNC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate?
The InChIKey is KIIVQAMARUPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO4/c1-7-29-24(27)19-26-25(28)30-18-17-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h11,13,15,17H,7-10,12,14,16,18-19H2,1-6H3,(H,26,28).
What are the key properties of ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate?
ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate has a molecular weight of 419.61 g/mol, XLogP of 6.42, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate is sourced from PubChem (CID 78164720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).