[(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate

C24H45NO4 — CID 135130652

IUPAC[(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate
SMILESCCCCCC/C=C\COC(=O)CNCC(=O)OC(CCCCC)CCCCC
InChIInChI=1S/C24H45NO4/c1-4-7-10-11-12-13-16-19-28-23(26)20-25-21-24(27)29-22(17-14-8-5-2)18-15-9-6-3/h13,16,22,25H,4-12,14-15,17-21H2,1-3H3/b16-13-
InChIKeyKWPUMPDSPRGEPD-SSZFMOIBSA-N
MW411.63 g/mol
LogP5.72
Rot. Bonds20

About [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate

[(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate (PubChem CID 135130652) has the molecular formula C24H45NO4 and a molecular weight of 411.63 g/mol. Its IUPAC name is [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate.

Molecular Properties

Compound Name[(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate
PubChem CID135130652
Molecular FormulaC24H45NO4
Molecular Weight411.63 g/mol
Exact Mass411.33
IUPAC Name[(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate
SMILESCCCCCC/C=C\COC(=O)CNCC(=O)OC(CCCCC)CCCCC
InChIInChI=1S/C24H45NO4/c1-4-7-10-11-12-13-16-19-28-23(26)20-25-21-24(27)29-22(17-14-8-5-2)18-15-9-6-3/h13,16,22,25H,4-12,14-15,17-21H2,1-3H3/b16-13-
InChIKeyKWPUMPDSPRGEPD-SSZFMOIBSA-N
XLogP5.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate with MolForge

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Related Compounds

1-O-[(Z)-non-2-enyl] 9-O-tridecan-7-yl nonanedioate
CID 157416257
hexadecan-8-yl 4-aminobutanoate;9-O-hexadecan-8-yl 1-O-[(Z)-non-2-enyl] nonanedioate
CID 158592077
bis(non-2-enyl) 9-(4-bromobutanoyloxy)heptadecanedioate
CID 123979530
bis[(Z)-non-2-enyl] 10-acetyloxynonadecanedioate
CID 171792484
(2-oxo-2-pentadecan-8-yloxyethyl)-[2-oxo-2-[(Z)-tetradec-2-enoxy]ethyl]carbamothioic S-acid
CID 166728191
icosan-9-yl (Z)-docos-13-enoate
CID 25125275
[(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate
CID 71815262
bis[(Z)-oct-2-enyl] 8-[4-(dimethylamino)butanoyloxy]pentadecanedioate
CID 58069916
ethane;[(7Z,26Z)-tritriaconta-7,26-dien-17-yl] pentanoate
CID 171792492
bis[(Z)-non-2-enyl] 9-[5-[methyl(propan-2-yl)amino]pentanoyloxy]heptadecanedioate
CID 58070120
[(Z)-non-2-enyl] 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 126717587
[(Z)-non-2-enyl] 4-[formyl-[4-oxo-4-[(4E,11E)-pentadeca-4,11-dien-8-yl]oxybutyl]amino]butanoate
CID 174176530

Frequently Asked Questions

What is the IUPAC name of [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate?
The IUPAC name of [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate (CID 135130652) is [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate.
What is the SMILES notation for [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate?
The canonical SMILES for [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate is CCCCCC/C=C\COC(=O)CNCC(=O)OC(CCCCC)CCCCC.
What is the InChIKey of [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate?
The InChIKey is KWPUMPDSPRGEPD-SSZFMOIBSA-N. The full InChI is InChI=1S/C24H45NO4/c1-4-7-10-11-12-13-16-19-28-23(26)20-25-21-24(27)29-22(17-14-8-5-2)18-15-9-6-3/h13,16,22,25H,4-12,14-15,17-21H2,1-3H3/b16-13-.
What are the key properties of [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate?
[(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate has a molecular weight of 411.63 g/mol, XLogP of 5.72, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-2-enyl] 2-[(2-oxo-2-undecan-6-yloxyethyl)amino]acetate is sourced from PubChem (CID 135130652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).