[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate

C24H39NO3 — CID 10715387

IUPAC[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)COC(C)=O
InChIInChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)22-28-23(2)26/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,25,27)/b8-7-,11-10-,14-13-,17-16-
InChIKeyDWXJVUKDOLXSRK-ZKWNWVNESA-N
MW389.58 g/mol
LogP5.81
Rot. Bonds17

About [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate

[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate (PubChem CID 10715387) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate
PubChem CID10715387
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)COC(C)=O
InChIInChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)22-28-23(2)26/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,25,27)/b8-7-,11-10-,14-13-,17-16-
InChIKeyDWXJVUKDOLXSRK-ZKWNWVNESA-N
XLogP5.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate (CID 10715387) is [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)COC(C)=O.
What is the InChIKey of [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate?
The InChIKey is DWXJVUKDOLXSRK-ZKWNWVNESA-N. The full InChI is InChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)22-28-23(2)26/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,25,27)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate?
[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate has a molecular weight of 389.58 g/mol, XLogP of 5.81, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 10715387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).