N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide

C16H25N3O3 — CID 143727448

IUPACN-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide
SMILESC=C/C=C\C(\C=N\NC(=O)CCCCCCC(=O)NO)=C/C
InChIInChI=1S/C16H25N3O3/c1-3-5-10-14(4-2)13-17-18-15(20)11-8-6-7-9-12-16(21)19-22/h3-5,10,13,22H,1,6-9,11-12H2,2H3,(H,18,20)(H,19,21)/b10-5-,14-4+,17-13+
InChIKeyRYIJLFQBROABRW-HKEDMDPISA-N
MW307.39 g/mol
LogP2.62
Rot. Bonds11

About N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide

N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide (PubChem CID 143727448) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide
PubChem CID143727448
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide
SMILESC=C/C=C\C(\C=N\NC(=O)CCCCCCC(=O)NO)=C/C
InChIInChI=1S/C16H25N3O3/c1-3-5-10-14(4-2)13-17-18-15(20)11-8-6-7-9-12-16(21)19-22/h3-5,10,13,22H,1,6-9,11-12H2,2H3,(H,18,20)(H,19,21)/b10-5-,14-4+,17-13+
InChIKeyRYIJLFQBROABRW-HKEDMDPISA-N
XLogP2.62
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide?
The IUPAC name of N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide (CID 143727448) is N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide is C=C/C=C\C(\C=N\NC(=O)CCCCCCC(=O)NO)=C/C.
What is the InChIKey of N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide?
The InChIKey is RYIJLFQBROABRW-HKEDMDPISA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-5-10-14(4-2)13-17-18-15(20)11-8-6-7-9-12-16(21)19-22/h3-5,10,13,22H,1,6-9,11-12H2,2H3,(H,18,20)(H,19,21)/b10-5-,14-4+,17-13+.
What are the key properties of N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide?
N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide has a molecular weight of 307.39 g/mol, XLogP of 2.62, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]amino]-N'-hydroxyoctanediamide is sourced from PubChem (CID 143727448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).