2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide

C18H26ClNO2 — CID 70693132

IUPAC2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide
SMILESCC(C)=CCCC(C)CCC(O)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C18H26ClNO2/c1-13(2)6-4-7-14(3)10-11-18(22,17(20)21)15-8-5-9-16(19)12-15/h5-6,8-9,12,14,22H,4,7,10-11H2,1-3H3,(H2,20,21)
InChIKeyBXKRGJGWALCNRM-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.18
Rot. Bonds8

About 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide

2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide (PubChem CID 70693132) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide
PubChem CID70693132
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide
SMILESCC(C)=CCCC(C)CCC(O)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C18H26ClNO2/c1-13(2)6-4-7-14(3)10-11-18(22,17(20)21)15-8-5-9-16(19)12-15/h5-6,8-9,12,14,22H,4,7,10-11H2,1-3H3,(H2,20,21)
InChIKeyBXKRGJGWALCNRM-UHFFFAOYSA-N
XLogP4.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.18
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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(2S)-2-(3-chlorophenyl)-2-hydroxynonanamide
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(2R)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883322
Acetamide, 2-(p-chlorophenyl)-2-hydroxy-
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2-Hydroxy-2-phenylpentanamide
CID 5143691
3-Chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
CID 10955535
2-Hydroxy-2-phenylheptanamide
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2-(3-Chlorophenyl)-2-hydroxynon-8-enamide
CID 70682599

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide?
The IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide (CID 70693132) is 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide is CC(C)=CCCC(C)CCC(O)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide?
The InChIKey is BXKRGJGWALCNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-13(2)6-4-7-14(3)10-11-18(22,17(20)21)15-8-5-9-16(19)12-15/h5-6,8-9,12,14,22H,4,7,10-11H2,1-3H3,(H2,20,21).
What are the key properties of 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide?
2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide has a molecular weight of 323.86 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide is sourced from PubChem (CID 70693132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).