(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide

C24H43NO4 — CID 91746219

IUPAC(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide
SMILESCCCCC[C@H](O)/C=C/C1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)CC
InChIInChI=1S/C24H43NO4/c1-4-7-10-13-19(26)16-17-21-20(22(27)18-23(21)28)14-11-8-9-12-15-24(29)25(5-2)6-3/h8,11,16-17,19-23,26-28H,4-7,9-10,12-15,18H2,1-3H3/b11-8-,17-16+/t19-,20+,21?,22-,23+/m0/s1
InChIKeyYWBNJEOWDZQOCB-OLQRRHNSSA-N
MW409.61 g/mol
LogP3.83
Rot. Bonds14

About (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide

(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide (PubChem CID 91746219) has the molecular formula C24H43NO4 and a molecular weight of 409.61 g/mol. Its IUPAC name is (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide.

Molecular Properties

Compound Name(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide
PubChem CID91746219
Molecular FormulaC24H43NO4
Molecular Weight409.61 g/mol
Exact Mass409.32
IUPAC Name(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide
SMILESCCCCC[C@H](O)/C=C/C1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)CC
InChIInChI=1S/C24H43NO4/c1-4-7-10-13-19(26)16-17-21-20(22(27)18-23(21)28)14-11-8-9-12-15-24(29)25(5-2)6-3/h8,11,16-17,19-23,26-28H,4-7,9-10,12-15,18H2,1-3H3/b11-8-,17-16+/t19-,20+,21?,22-,23+/m0/s1
InChIKeyYWBNJEOWDZQOCB-OLQRRHNSSA-N
XLogP3.83
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.61
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide?
The IUPAC name of (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide (CID 91746219) is (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide.
What is the SMILES notation for (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide?
The canonical SMILES for (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide is CCCCC[C@H](O)/C=C/C1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)CC.
What is the InChIKey of (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide?
The InChIKey is YWBNJEOWDZQOCB-OLQRRHNSSA-N. The full InChI is InChI=1S/C24H43NO4/c1-4-7-10-13-19(26)16-17-21-20(22(27)18-23(21)28)14-11-8-9-12-15-24(29)25(5-2)6-3/h8,11,16-17,19-23,26-28H,4-7,9-10,12-15,18H2,1-3H3/b11-8-,17-16+/t19-,20+,21?,22-,23+/m0/s1.
What are the key properties of (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide?
(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide has a molecular weight of 409.61 g/mol, XLogP of 3.83, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-diethylhept-5-enamide is sourced from PubChem (CID 91746219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).