(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide

C24H35NO4 — CID 67584393

IUPAC(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
SMILESCO/C(=C/CCCc1ccccc1)[C@@H]1CCCC1C/C=C\CCC(O)(O)C(N)=O
InChIInChI=1S/C24H35NO4/c1-29-22(17-8-7-13-19-11-4-2-5-12-19)21-16-10-15-20(21)14-6-3-9-18-24(27,28)23(25)26/h2-6,11-12,17,20-21,27-28H,7-10,13-16,18H2,1H3,(H2,25,26)/b6-3-,22-17+/t20?,21-/m1/s1
InChIKeyAQHHPUSVWXFYQL-XIBLSLQTSA-N
MW401.55 g/mol
LogP3.85
Rot. Bonds12

About (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide

(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide (PubChem CID 67584393) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide.

Molecular Properties

Compound Name(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
PubChem CID67584393
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC Name(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
SMILESCO/C(=C/CCCc1ccccc1)[C@@H]1CCCC1C/C=C\CCC(O)(O)C(N)=O
InChIInChI=1S/C24H35NO4/c1-29-22(17-8-7-13-19-11-4-2-5-12-19)21-16-10-15-20(21)14-6-3-9-18-24(27,28)23(25)26/h2-6,11-12,17,20-21,27-28H,7-10,13-16,18H2,1H3,(H2,25,26)/b6-3-,22-17+/t20?,21-/m1/s1
InChIKeyAQHHPUSVWXFYQL-XIBLSLQTSA-N
XLogP3.85
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide?
The IUPAC name of (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide (CID 67584393) is (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide.
What is the SMILES notation for (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide?
The canonical SMILES for (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide is CO/C(=C/CCCc1ccccc1)[C@@H]1CCCC1C/C=C\CCC(O)(O)C(N)=O.
What is the InChIKey of (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide?
The InChIKey is AQHHPUSVWXFYQL-XIBLSLQTSA-N. The full InChI is InChI=1S/C24H35NO4/c1-29-22(17-8-7-13-19-11-4-2-5-12-19)21-16-10-15-20(21)14-6-3-9-18-24(27,28)23(25)26/h2-6,11-12,17,20-21,27-28H,7-10,13-16,18H2,1H3,(H2,25,26)/b6-3-,22-17+/t20?,21-/m1/s1.
What are the key properties of (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide?
(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide has a molecular weight of 401.55 g/mol, XLogP of 3.85, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide is sourced from PubChem (CID 67584393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).