(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide

C30H40ClNO — CID 90008849

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C30H40ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(33)32-27-26-28-23-21-22-24-29(28)31/h3-4,6-7,9-10,12-13,15-16,18-19,21-24H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,33)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyMVVCVQLLUKEDCR-KUBAVDMBSA-N
MW466.11 g/mol
LogP8.48
Rot. Bonds17

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 90008849) has the molecular formula C30H40ClNO and a molecular weight of 466.11 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
PubChem CID90008849
Molecular FormulaC30H40ClNO
Molecular Weight466.11 g/mol
Exact Mass465.28
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C30H40ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(33)32-27-26-28-23-21-22-24-29(28)31/h3-4,6-7,9-10,12-13,15-16,18-19,21-24H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,33)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyMVVCVQLLUKEDCR-KUBAVDMBSA-N
XLogP8.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.11
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53374072
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53378337
N-phenacyldocosa-4,7,10,13,16,19-hexaenamide
CID 123665751
N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 118539446
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814900
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide (CID 90008849) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCc1ccccc1Cl.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is MVVCVQLLUKEDCR-KUBAVDMBSA-N. The full InChI is InChI=1S/C30H40ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(33)32-27-26-28-23-21-22-24-29(28)31/h3-4,6-7,9-10,12-13,15-16,18-19,21-24H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,33)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 466.11 g/mol, XLogP of 8.48, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 90008849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).