(Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide

C26H41NO2 — CID 129274966

IUPAC(Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide
SMILESC=C/C=C\C(=C/C)CC[C@H](O)/C=C/C1CCC[C@@H]1C/C=C\CCCC(=O)NCC
InChIInChI=1S/C26H41NO2/c1-4-7-13-22(5-2)18-20-25(28)21-19-24-16-12-15-23(24)14-10-8-9-11-17-26(29)27-6-3/h4-5,7-8,10,13,19,21,23-25,28H,1,6,9,11-12,14-18,20H2,2-3H3,(H,27,29)/b10-8-,13-7-,21-19+,22-5+/t23-,24?,25-/m0/s1
InChIKeyXFHVLVYVMATTMH-TVXAFJRCSA-N
MW399.62 g/mol
LogP6.04
Rot. Bonds14

About (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide

(Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide (PubChem CID 129274966) has the molecular formula C26H41NO2 and a molecular weight of 399.62 g/mol. Its IUPAC name is (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide
PubChem CID129274966
Molecular FormulaC26H41NO2
Molecular Weight399.62 g/mol
Exact Mass399.31
IUPAC Name(Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide
SMILESC=C/C=C\C(=C/C)CC[C@H](O)/C=C/C1CCC[C@@H]1C/C=C\CCCC(=O)NCC
InChIInChI=1S/C26H41NO2/c1-4-7-13-22(5-2)18-20-25(28)21-19-24-16-12-15-23(24)14-10-8-9-11-17-26(29)27-6-3/h4-5,7-8,10,13,19,21,23-25,28H,1,6,9,11-12,14-18,20H2,2-3H3,(H,27,29)/b10-8-,13-7-,21-19+,22-5+/t23-,24?,25-/m0/s1
InChIKeyXFHVLVYVMATTMH-TVXAFJRCSA-N
XLogP6.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide?
The IUPAC name of (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide (CID 129274966) is (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide.
What is the SMILES notation for (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide?
The canonical SMILES for (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide is C=C/C=C\C(=C/C)CC[C@H](O)/C=C/C1CCC[C@@H]1C/C=C\CCCC(=O)NCC.
What is the InChIKey of (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide?
The InChIKey is XFHVLVYVMATTMH-TVXAFJRCSA-N. The full InChI is InChI=1S/C26H41NO2/c1-4-7-13-22(5-2)18-20-25(28)21-19-24-16-12-15-23(24)14-10-8-9-11-17-26(29)27-6-3/h4-5,7-8,10,13,19,21,23-25,28H,1,6,9,11-12,14-18,20H2,2-3H3,(H,27,29)/b10-8-,13-7-,21-19+,22-5+/t23-,24?,25-/m0/s1.
What are the key properties of (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide?
(Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide has a molecular weight of 399.62 g/mol, XLogP of 6.04, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-7-[(1R)-2-[(1E,3S,6Z,7Z)-6-ethylidene-3-hydroxydeca-1,7,9-trienyl]cyclopentyl]hept-5-enamide is sourced from PubChem (CID 129274966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).