(Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide

C18H31NO3 — CID 122549475

IUPAC(Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide
SMILESCC/C=C\CCCC(=O)C(CC/C=C\CC)C(=O)NCCO
InChIInChI=1S/C18H31NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,19,22)/b7-5-,8-6-
InChIKeyHSMKVWSPIZTQCW-SFECMWDFSA-N
MW309.45 g/mol
LogP3.16
Rot. Bonds13

About (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide

(Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide (PubChem CID 122549475) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide.

Molecular Properties

Compound Name(Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide
PubChem CID122549475
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide
SMILESCC/C=C\CCCC(=O)C(CC/C=C\CC)C(=O)NCCO
InChIInChI=1S/C18H31NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,19,22)/b7-5-,8-6-
InChIKeyHSMKVWSPIZTQCW-SFECMWDFSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
(8Z,11Z,14Z)-N-(2-Hydroxyethyl)-8,11,14-eicosatrienamide
CID 5282272
Palmitoleoyl Ethanolamide
CID 9835868
alpha-Linolenoyl Ethanolamide
CID 5283449
Oleic monoisopropanolamide
CID 6436066
(Z)-N-(2-Hydroxyethyl)docos-13-enamide
CID 6436482
alpha-Methyl anandamide
CID 5283455
N-(16,16-dimethy-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
CID 5283457
N-(2-isopropyl-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
CID 5283458
N-(17-methyl-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
CID 5283465
N-cis-11-eicosaenoylethanolamine
CID 5283452

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide?
The IUPAC name of (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide (CID 122549475) is (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide.
What is the SMILES notation for (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide?
The canonical SMILES for (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide is CC/C=C\CCCC(=O)C(CC/C=C\CC)C(=O)NCCO.
What is the InChIKey of (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide?
The InChIKey is HSMKVWSPIZTQCW-SFECMWDFSA-N. The full InChI is InChI=1S/C18H31NO3/c1-3-5-7-9-11-13-17(21)16(12-10-8-6-4-2)18(22)19-14-15-20/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,19,22)/b7-5-,8-6-.
What are the key properties of (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide?
(Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide has a molecular weight of 309.45 g/mol, XLogP of 3.16, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-hex-3-enyl]-N-(2-hydroxyethyl)-3-oxodec-7-enamide is sourced from PubChem (CID 122549475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).