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

C24H42N2O — CID 73062866

IUPACN-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
SMILESCCCCCN(C)CC=CCC=CCC=CCC=CCCCCNC(C)=O
InChIInChI=1S/C24H42N2O/c1-4-5-19-22-26(3)23-20-17-15-13-11-9-7-6-8-10-12-14-16-18-21-25-24(2)27/h6-7,10-13,17,20H,4-5,8-9,14-16,18-19,21-23H2,1-3H3,(H,25,27)
InChIKeyWQRACMAKZBUOEW-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.81
Rot. Bonds17

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

N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide (PubChem CID 73062866) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide.

Molecular Properties

Compound NameN-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
PubChem CID73062866
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC NameN-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
SMILESCCCCCN(C)CC=CCC=CCC=CCC=CCCCCNC(C)=O
InChIInChI=1S/C24H42N2O/c1-4-5-19-22-26(3)23-20-17-15-13-11-9-7-6-8-10-12-14-16-18-21-25-24(2)27/h6-7,10-13,17,20H,4-5,8-9,14-16,18-19,21-23H2,1-3H3,(H,25,27)
InChIKeyWQRACMAKZBUOEW-UHFFFAOYSA-N
XLogP5.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-hydroxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]benzamide;hydrochloride
CID 11562216
(Z)-N-[4-[methyl-[5-[methyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]amino]pent-2-enyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 175897161
N-[3-[3-acetamidopropyl(methyl)amino]propyl]octadec-9-enamide
CID 154225120
(Z)-N-[4-[methyl-[7-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]heptyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 172726509
1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10782834
2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 87644126
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
3-[2-(dimethylamino)ethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]-3-oxopropyl]amino]-N-[(9Z,12Z)-octadeca-9,12-dienyl]propanamide
CID 164813974
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805
N-pentadecylacetamide
CID 12009452
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540

Frequently Asked Questions

What is the IUPAC name of N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
The IUPAC name of N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide (CID 73062866) is N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide.
What is the SMILES notation for N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
The canonical SMILES for N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide is CCCCCN(C)CC=CCC=CCC=CCC=CCCCCNC(C)=O.
What is the InChIKey of N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
The InChIKey is WQRACMAKZBUOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O/c1-4-5-19-22-26(3)23-20-17-15-13-11-9-7-6-8-10-12-14-16-18-21-25-24(2)27/h6-7,10-13,17,20H,4-5,8-9,14-16,18-19,21-23H2,1-3H3,(H,25,27).
What are the key properties of N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide?
N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide has a molecular weight of 374.61 g/mol, XLogP of 5.81, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide is sourced from PubChem (CID 73062866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).