(Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide

C22H41NO2 — CID 163319736

IUPAC(Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide
SMILESC/C=C\CCC(CC)C(=O)NCCC[C@@H](CC)[C@H](O)CC/C(C)=C/C
InChIInChI=1S/C22H41NO2/c1-6-10-11-13-20(9-4)22(25)23-17-12-14-19(8-3)21(24)16-15-18(5)7-2/h6-7,10,19-21,24H,8-9,11-17H2,1-5H3,(H,23,25)/b10-6-,18-7+/t19-,20?,21-/m1/s1
InChIKeyGALYYGVBCXQKNY-UICKJIGMSA-N
MW351.58 g/mol
LogP5.40
Rot. Bonds14

About (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide

(Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide (PubChem CID 163319736) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide.

Molecular Properties

Compound Name(Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide
PubChem CID163319736
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name(Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide
SMILESC/C=C\CCC(CC)C(=O)NCCC[C@@H](CC)[C@H](O)CC/C(C)=C/C
InChIInChI=1S/C22H41NO2/c1-6-10-11-13-20(9-4)22(25)23-17-12-14-19(8-3)21(24)16-15-18(5)7-2/h6-7,10,19-21,24H,8-9,11-17H2,1-5H3,(H,23,25)/b10-6-,18-7+/t19-,20?,21-/m1/s1
InChIKeyGALYYGVBCXQKNY-UICKJIGMSA-N
XLogP5.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide with MolForge

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Related Compounds

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(E,7S)-7-hydroxy-N-(2-methylpropyl)tetradec-4-enamide
CID 76309683
N-(2-hydroxy-2S-methyl-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283426
(3R,6Z,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradec-6-en-2-one
CID 10862470
N-i-butylricinoleamide
CID 129726396
(R,Z)-N-((4R,5R,E)-5-((tert-butyldimethylsilyl)oxy)-4-ethyl-8-methyldec-8-en-1-yl)-2-ethylhept-5-enamide
CID 163319722
(3R,10R,11R,E)-10-((tert-butyldimethylsilyl)oxy)-3,11-diethyl-7-methylazacyclotetradec-6-en-2-one
CID 163319723
6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide
CID 15480986
6-(Hydroxymethyl)-N-tetradecyl-3-cyclohexene-1-carboxamide
CID 21266158
(E)-N-[3-(2-hydroxyethyl)-3-methyl-5-[[(E)-octadec-8-enoyl]amino]pentyl]octadec-8-enamide
CID 21348366
N-(5-hydroxypentyl)docos-13-enamide
CID 54013012

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide?
The IUPAC name of (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide (CID 163319736) is (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide.
What is the SMILES notation for (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide?
The canonical SMILES for (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide is C/C=C\CCC(CC)C(=O)NCCC[C@@H](CC)[C@H](O)CC/C(C)=C/C.
What is the InChIKey of (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide?
The InChIKey is GALYYGVBCXQKNY-UICKJIGMSA-N. The full InChI is InChI=1S/C22H41NO2/c1-6-10-11-13-20(9-4)22(25)23-17-12-14-19(8-3)21(24)16-15-18(5)7-2/h6-7,10,19-21,24H,8-9,11-17H2,1-5H3,(H,23,25)/b10-6-,18-7+/t19-,20?,21-/m1/s1.
What are the key properties of (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide?
(Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide has a molecular weight of 351.58 g/mol, XLogP of 5.40, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-ethyl-N-[(E,4R,5R)-4-ethyl-5-hydroxy-8-methyldec-8-enyl]hept-5-enamide is sourced from PubChem (CID 163319736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).