7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide

C23H39NO3 — CID 70115485

IUPAC7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide
SMILESCC(C)NC(=O)CCCC=CC[C@H]1[C@H](C=CCCCCCCO)C=C[C@H]1O
InChIInChI=1S/C23H39NO3/c1-19(2)24-23(27)15-11-7-6-10-14-21-20(16-17-22(21)26)13-9-5-3-4-8-12-18-25/h6,9-10,13,16-17,19-22,25-26H,3-5,7-8,11-12,14-15,18H2,1-2H3,(H,24,27)/t20-,21+,22-/m1/s1
InChIKeyXFBVLTFZNUIUDA-BHIFYINESA-N
MW377.57 g/mol
LogP4.29
Rot. Bonds14

About 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide

7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide (PubChem CID 70115485) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide.

Molecular Properties

Compound Name7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide
PubChem CID70115485
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide
SMILESCC(C)NC(=O)CCCC=CC[C@H]1[C@H](C=CCCCCCCO)C=C[C@H]1O
InChIInChI=1S/C23H39NO3/c1-19(2)24-23(27)15-11-7-6-10-14-21-20(16-17-22(21)26)13-9-5-3-4-8-12-18-25/h6,9-10,13,16-17,19-22,25-26H,3-5,7-8,11-12,14-15,18H2,1-2H3,(H,24,27)/t20-,21+,22-/m1/s1
InChIKeyXFBVLTFZNUIUDA-BHIFYINESA-N
XLogP4.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.29
H-Bond Donors ≤ 53
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-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide?
The IUPAC name of 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide (CID 70115485) is 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide.
What is the SMILES notation for 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide?
The canonical SMILES for 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide is CC(C)NC(=O)CCCC=CC[C@H]1[C@H](C=CCCCCCCO)C=C[C@H]1O.
What is the InChIKey of 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide?
The InChIKey is XFBVLTFZNUIUDA-BHIFYINESA-N. The full InChI is InChI=1S/C23H39NO3/c1-19(2)24-23(27)15-11-7-6-10-14-21-20(16-17-22(21)26)13-9-5-3-4-8-12-18-25/h6,9-10,13,16-17,19-22,25-26H,3-5,7-8,11-12,14-15,18H2,1-2H3,(H,24,27)/t20-,21+,22-/m1/s1.
What are the key properties of 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide?
7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide has a molecular weight of 377.57 g/mol, XLogP of 4.29, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide is sourced from PubChem (CID 70115485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).