2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide

C24H42N2O — CID 54244144

IUPAC2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)CN(C)C
InChIInChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-24(27)23-26(2)3/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-23H2,1-3H3,(H,25,27)
InChIKeyQSBBQDIVPPMBRS-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.81
Rot. Bonds17

About 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide

2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide (PubChem CID 54244144) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide
PubChem CID54244144
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)CN(C)C
InChIInChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-24(27)23-26(2)3/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-23H2,1-3H3,(H,25,27)
InChIKeyQSBBQDIVPPMBRS-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

N-propyl arachidonoyl amine
CID 5283394
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
N-ethyl arachidonoyl amine
CID 5283391
N-butyl arachidonoyl amine
CID 5283396
N'-arachidonoyl-N''-diethylethylenediamine
CID 5283407
Acetamide, N-oleyl-
CID 5961270
N-amyl arachidohoyl amine
CID 5283398
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]butanamide
CID 44406737
N-[3-[acetyl-[3-[(10Z)-1-azacyclopentadec-10-en-1-yl]propyl]amino]propyl]acetamide
CID 15347440
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]propanamide
CID 44406740
N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]propanamide
CID 44406747
N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]butanamide
CID 44406748

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide?
The IUPAC name of 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide (CID 54244144) is 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide is CCCCCC=CCC=CCC=CCC=CCCCCNC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide?
The InChIKey is QSBBQDIVPPMBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-24(27)23-26(2)3/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-23H2,1-3H3,(H,25,27).
What are the key properties of 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide?
2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide 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 2-(dimethylamino)-N-icosa-5,8,11,14-tetraenylacetamide is sourced from PubChem (CID 54244144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).