2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide

C25H44N2O2 — CID 72999749

IUPAC2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
SMILESCCCCCN(C)CC=CCC=CCC=CCC=CCCCCNC(=O)COC
InChIInChI=1S/C25H44N2O2/c1-4-5-19-22-27(2)23-20-17-15-13-11-9-7-6-8-10-12-14-16-18-21-26-25(28)24-29-3/h6-7,10-13,17,20H,4-5,8-9,14-16,18-19,21-24H2,1-3H3,(H,26,28)
InChIKeyOHZMMAMGYIESKI-UHFFFAOYSA-N
MW404.64 g/mol
LogP5.44
Rot. Bonds19

About 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide

2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide (PubChem CID 72999749) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
PubChem CID72999749
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC Name2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
SMILESCCCCCN(C)CC=CCC=CCC=CCC=CCCCCNC(=O)COC
InChIInChI=1S/C25H44N2O2/c1-4-5-19-22-27(2)23-20-17-15-13-11-9-7-6-8-10-12-14-16-18-21-26-25(28)24-29-3/h6-7,10-13,17,20H,4-5,8-9,14-16,18-19,21-24H2,1-3H3,(H,26,28)
InChIKeyOHZMMAMGYIESKI-UHFFFAOYSA-N
XLogP5.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 55.44
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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Related Compounds

Icosa-5,8,11,14-tetraenoic acid (2-methoxy-ethyl)-amide (0609)
CID 44313787
Acetic acid ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl)carbamoylmethyl ester
CID 10715387
N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]-2-methoxyacetamide
CID 9885294
2-methoxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
CID 11539464
2-hydroxy-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 24798188
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53374183
[2-(Icosa-5,8,11,14-tetraenylamino)-2-oxoethyl] acetate
CID 53783512
N-(2-methoxyethyl)icosa-5,8,11,14-tetraenamide
CID 53846610
N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
CID 54380110
2-methoxy-N-[2-[[(3S)-3-prop-1-enylpyrrolidin-1-yl]methyl]pentyl]acetamide
CID 69894972
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-(2-Aminoethoxy)ethyl)docosa-4,7,10,13,16,19-hexaenamide
CID 86696164

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
The IUPAC name of 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide (CID 72999749) is 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide is CCCCCN(C)CC=CCC=CCC=CCC=CCCCCNC(=O)COC.
What is the InChIKey of 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
The InChIKey is OHZMMAMGYIESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-4-5-19-22-27(2)23-20-17-15-13-11-9-7-6-8-10-12-14-16-18-21-26-25(28)24-29-3/h6-7,10-13,17,20H,4-5,8-9,14-16,18-19,21-24H2,1-3H3,(H,26,28).
What are the key properties of 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide has a molecular weight of 404.64 g/mol, XLogP of 5.44, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide is sourced from PubChem (CID 72999749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).