7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide

C22H39NO3 — CID 67656754

IUPAC7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide
SMILESCN(C)C(=O)CCCC=CC[C@H]1[C@@H](O)CC[C@@H]1C=CCCCCCCO
InChIInChI=1S/C22H39NO3/c1-23(2)22(26)15-11-7-6-10-14-20-19(16-17-21(20)25)13-9-5-3-4-8-12-18-24/h6,9-10,13,19-21,24-25H,3-5,7-8,11-12,14-18H2,1-2H3/t19-,20+,21-/m0/s1
InChIKeyRZERPRPFKGLAIW-HBMCJLEFSA-N
MW365.56 g/mol
LogP4.08
Rot. Bonds13

About 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide

7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide (PubChem CID 67656754) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide.

Molecular Properties

Compound Name7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide
PubChem CID67656754
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Name7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide
SMILESCN(C)C(=O)CCCC=CC[C@H]1[C@@H](O)CC[C@@H]1C=CCCCCCCO
InChIInChI=1S/C22H39NO3/c1-23(2)22(26)15-11-7-6-10-14-20-19(16-17-21(20)25)13-9-5-3-4-8-12-18-24/h6,9-10,13,19-21,24-25H,3-5,7-8,11-12,14-18H2,1-2H3/t19-,20+,21-/m0/s1
InChIKeyRZERPRPFKGLAIW-HBMCJLEFSA-N
XLogP4.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide?
The IUPAC name of 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide (CID 67656754) is 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide.
What is the SMILES notation for 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide?
The canonical SMILES for 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide is CN(C)C(=O)CCCC=CC[C@H]1[C@@H](O)CC[C@@H]1C=CCCCCCCO.
What is the InChIKey of 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide?
The InChIKey is RZERPRPFKGLAIW-HBMCJLEFSA-N. The full InChI is InChI=1S/C22H39NO3/c1-23(2)22(26)15-11-7-6-10-14-20-19(16-17-21(20)25)13-9-5-3-4-8-12-18-24/h6,9-10,13,19-21,24-25H,3-5,7-8,11-12,14-18H2,1-2H3/t19-,20+,21-/m0/s1.
What are the key properties of 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide?
7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide has a molecular weight of 365.56 g/mol, XLogP of 4.08, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2S,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N,N-dimethylhept-5-enamide is sourced from PubChem (CID 67656754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).