(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide

C25H43NO2 — CID 21158634

IUPAC(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide
SMILESCCCCCCCCCCC/C=C\C=C\C=C/C=C(/C(=O)NCCO)C(C)C
InChIInChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h14-20,23,27H,4-13,21-22H2,1-3H3,(H,26,28)/b15-14-,17-16+,19-18-,24-20+
InChIKeyUBHWMLBXHKCCRN-GCNSQNMASA-N
MW389.62 g/mol
LogP6.27
Rot. Bonds17

About (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide

(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide (PubChem CID 21158634) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide
PubChem CID21158634
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide
SMILESCCCCCCCCCCC/C=C\C=C\C=C/C=C(/C(=O)NCCO)C(C)C
InChIInChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h14-20,23,27H,4-13,21-22H2,1-3H3,(H,26,28)/b15-14-,17-16+,19-18-,24-20+
InChIKeyUBHWMLBXHKCCRN-GCNSQNMASA-N
XLogP6.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide (CID 21158634) is (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide is CCCCCCCCCCC/C=C\C=C\C=C/C=C(/C(=O)NCCO)C(C)C.
What is the InChIKey of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide?
The InChIKey is UBHWMLBXHKCCRN-GCNSQNMASA-N. The full InChI is InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(28)26-21-22-27/h14-20,23,27H,4-13,21-22H2,1-3H3,(H,26,28)/b15-14-,17-16+,19-18-,24-20+.
What are the key properties of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide?
(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide has a molecular weight of 389.62 g/mol, XLogP of 6.27, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-2-propan-2-ylicosa-2,4,6,8-tetraenamide is sourced from PubChem (CID 21158634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).