N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide

C16H26N2O3 — CID 126554359

IUPACN'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
SMILESC/C=C\C=C/C(=C\C)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C16H26N2O3/c1-3-5-8-11-14(4-2)17-15(19)12-9-6-7-10-13-16(20)18-21/h3-5,8,11,21H,6-7,9-10,12-13H2,1-2H3,(H,17,19)(H,18,20)/b5-3-,11-8-,14-4+
InChIKeyKVJYHFAJEHGHBI-WLJWNAEMSA-N
MW294.39 g/mol
LogP2.98
Rot. Bonds10

About N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide

N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide (PubChem CID 126554359) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
PubChem CID126554359
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
SMILESC/C=C\C=C/C(=C\C)NC(=O)CCCCCCC(=O)NO
InChIInChI=1S/C16H26N2O3/c1-3-5-8-11-14(4-2)17-15(19)12-9-6-7-10-13-16(20)18-21/h3-5,8,11,21H,6-7,9-10,12-13H2,1-2H3,(H,17,19)(H,18,20)/b5-3-,11-8-,14-4+
InChIKeyKVJYHFAJEHGHBI-WLJWNAEMSA-N
XLogP2.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide?
The IUPAC name of N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide (CID 126554359) is N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide is C/C=C\C=C/C(=C\C)NC(=O)CCCCCCC(=O)NO.
What is the InChIKey of N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide?
The InChIKey is KVJYHFAJEHGHBI-WLJWNAEMSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-5-8-11-14(4-2)17-15(19)12-9-6-7-10-13-16(20)18-21/h3-5,8,11,21H,6-7,9-10,12-13H2,1-2H3,(H,17,19)(H,18,20)/b5-3-,11-8-,14-4+.
What are the key properties of N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide?
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide has a molecular weight of 294.39 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide is sourced from PubChem (CID 126554359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).