(2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide

C20H37NO — CID 163319714

IUPAC(2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide
SMILESC=CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)CCCC(=C)C
InChIInChI=1S/C20H37NO/c1-6-9-15-19(8-3)20(22)21-16-11-14-18(7-2)13-10-12-17(4)5/h6,18-19H,1,4,7-16H2,2-3,5H3,(H,21,22)/t18-,19+/m0/s1
InChIKeyZDONXEXGAOORLL-RBUKOAKNSA-N
MW307.52 g/mol
LogP5.65
Rot. Bonds14

About (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide

(2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide (PubChem CID 163319714) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide
PubChem CID163319714
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide
SMILESC=CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)CCCC(=C)C
InChIInChI=1S/C20H37NO/c1-6-9-15-19(8-3)20(22)21-16-11-14-18(7-2)13-10-12-17(4)5/h6,18-19H,1,4,7-16H2,2-3,5H3,(H,21,22)/t18-,19+/m0/s1
InChIKeyZDONXEXGAOORLL-RBUKOAKNSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide?
The IUPAC name of (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide (CID 163319714) is (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide?
The canonical SMILES for (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide is C=CCC[C@@H](CC)C(=O)NCCC[C@@H](CC)CCCC(=C)C.
What is the InChIKey of (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide?
The InChIKey is ZDONXEXGAOORLL-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H37NO/c1-6-9-15-19(8-3)20(22)21-16-11-14-18(7-2)13-10-12-17(4)5/h6,18-19H,1,4,7-16H2,2-3,5H3,(H,21,22)/t18-,19+/m0/s1.
What are the key properties of (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide?
(2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide has a molecular weight of 307.52 g/mol, XLogP of 5.65, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(4S)-4-ethyl-8-methylnon-8-enyl]hex-5-enamide is sourced from PubChem (CID 163319714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).