prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate

C25H39NO3 — CID 21297974

IUPACprop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate
SMILESC=CCOC(=O)CNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C25H39NO3/c1-7-17-29-25(28)19-26-24(27)18-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h7,11,13,15,18H,1,8-10,12,14,16-17,19H2,2-6H3,(H,26,27)/b21-13+,22-15+,23-18+
InChIKeyWHNBKFLXEHDRJL-UZENZRIMSA-N
MW401.59 g/mol
LogP5.98
Rot. Bonds14

About prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate

prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate (PubChem CID 21297974) has the molecular formula C25H39NO3 and a molecular weight of 401.59 g/mol. Its IUPAC name is prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate
PubChem CID21297974
Molecular FormulaC25H39NO3
Molecular Weight401.59 g/mol
Exact Mass401.29
IUPAC Nameprop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate
SMILESC=CCOC(=O)CNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C25H39NO3/c1-7-17-29-25(28)19-26-24(27)18-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h7,11,13,15,18H,1,8-10,12,14,16-17,19H2,2-6H3,(H,26,27)/b21-13+,22-15+,23-18+
InChIKeyWHNBKFLXEHDRJL-UZENZRIMSA-N
XLogP5.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate?
The IUPAC name of prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate (CID 21297974) is prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate?
The canonical SMILES for prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate is C=CCOC(=O)CNC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate?
The InChIKey is WHNBKFLXEHDRJL-UZENZRIMSA-N. The full InChI is InChI=1S/C25H39NO3/c1-7-17-29-25(28)19-26-24(27)18-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h7,11,13,15,18H,1,8-10,12,14,16-17,19H2,2-6H3,(H,26,27)/b21-13+,22-15+,23-18+.
What are the key properties of prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate?
prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate has a molecular weight of 401.59 g/mol, XLogP of 5.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]acetate is sourced from PubChem (CID 21297974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).