(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide

C18H24ClNO2 — CID 70697237

IUPAC(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide
SMILESCC(C)=CCC/C(C)=C/CC(O)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClNO2/c1-13(2)6-4-7-14(3)10-11-18(22,17(20)21)15-8-5-9-16(19)12-15/h5-6,8-10,12,22H,4,7,11H2,1-3H3,(H2,20,21)/b14-10+
InChIKeyQCXWCLVGVFIJAW-GXDHUFHOSA-N
MW321.85 g/mol
LogP4.10
Rot. Bonds7

About (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide

(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide (PubChem CID 70697237) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide.

Molecular Properties

Compound Name(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide
PubChem CID70697237
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide
SMILESCC(C)=CCC/C(C)=C/CC(O)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClNO2/c1-13(2)6-4-7-14(3)10-11-18(22,17(20)21)15-8-5-9-16(19)12-15/h5-6,8-10,12,22H,4,7,11H2,1-3H3,(H2,20,21)/b14-10+
InChIKeyQCXWCLVGVFIJAW-GXDHUFHOSA-N
XLogP4.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Hydroxy-2-phenylpentanamide
CID 5143691
3-Chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
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2-(3-Chlorophenyl)-2-hydroxynon-8-enamide
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Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide?
The IUPAC name of (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide (CID 70697237) is (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide.
What is the SMILES notation for (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide?
The canonical SMILES for (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide is CC(C)=CCC/C(C)=C/CC(O)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide?
The InChIKey is QCXWCLVGVFIJAW-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-13(2)6-4-7-14(3)10-11-18(22,17(20)21)15-8-5-9-16(19)12-15/h5-6,8-10,12,22H,4,7,11H2,1-3H3,(H2,20,21)/b14-10+.
What are the key properties of (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide?
(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide has a molecular weight of 321.85 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide is sourced from PubChem (CID 70697237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).