N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide

C23H33NO2 — CID 11210471

IUPACN-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide
SMILESC/C=C\c1cc(C)ccc1/C(C)=C\C(C)=C\CCC[C@H](O)CNC(C)=O
InChIInChI=1S/C23H33NO2/c1-6-9-21-15-18(3)12-13-23(21)19(4)14-17(2)10-7-8-11-22(26)16-24-20(5)25/h6,9-10,12-15,22,26H,7-8,11,16H2,1-5H3,(H,24,25)/b9-6-,17-10+,19-14-/t22-/m0/s1
InChIKeyOZKSAMXSQQCGQT-JMUUTACGSA-N
MW355.52 g/mol
LogP5.05
Rot. Bonds9

About N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide

N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide (PubChem CID 11210471) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide
PubChem CID11210471
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC NameN-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide
SMILESC/C=C\c1cc(C)ccc1/C(C)=C\C(C)=C\CCC[C@H](O)CNC(C)=O
InChIInChI=1S/C23H33NO2/c1-6-9-21-15-18(3)12-13-23(21)19(4)14-17(2)10-7-8-11-22(26)16-24-20(5)25/h6,9-10,12-15,22,26H,7-8,11,16H2,1-5H3,(H,24,25)/b9-6-,17-10+,19-14-/t22-/m0/s1
InChIKeyOZKSAMXSQQCGQT-JMUUTACGSA-N
XLogP5.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide?
The IUPAC name of N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide (CID 11210471) is N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide.
What is the SMILES notation for N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide?
The canonical SMILES for N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide is C/C=C\c1cc(C)ccc1/C(C)=C\C(C)=C\CCC[C@H](O)CNC(C)=O.
What is the InChIKey of N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide?
The InChIKey is OZKSAMXSQQCGQT-JMUUTACGSA-N. The full InChI is InChI=1S/C23H33NO2/c1-6-9-21-15-18(3)12-13-23(21)19(4)14-17(2)10-7-8-11-22(26)16-24-20(5)25/h6,9-10,12-15,22,26H,7-8,11,16H2,1-5H3,(H,24,25)/b9-6-,17-10+,19-14-/t22-/m0/s1.
What are the key properties of N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide?
N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide has a molecular weight of 355.52 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6E,8Z)-2-hydroxy-7-methyl-9-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]deca-6,8-dienyl]acetamide is sourced from PubChem (CID 11210471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).