N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide

C16H28N2O3 — CID 123284208

IUPACN-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide
SMILESCC=CC=C(C)NC(=O)CCCCCCCCC(=O)NO
InChIInChI=1S/C16H28N2O3/c1-3-4-11-14(2)17-15(19)12-9-7-5-6-8-10-13-16(20)18-21/h3-4,11,21H,5-10,12-13H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHKPFUYPMACFZEJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.21
Rot. Bonds11

About N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide

N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide (PubChem CID 123284208) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide.

Molecular Properties

Compound NameN-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide
PubChem CID123284208
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide
SMILESCC=CC=C(C)NC(=O)CCCCCCCCC(=O)NO
InChIInChI=1S/C16H28N2O3/c1-3-4-11-14(2)17-15(19)12-9-7-5-6-8-10-13-16(20)18-21/h3-4,11,21H,5-10,12-13H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHKPFUYPMACFZEJ-UHFFFAOYSA-N
XLogP3.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.21
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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Related Compounds

N-(cyclobutadienyl)tetradecanamide
CID 68365184
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
CID 88613344
N'-hydroxy-N-prop-1-en-2-yloctanediamide
CID 88928974
N'-hydroxy-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]octanediamide
CID 88945245
N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide
CID 88968709
N-cyclohepta-1,3,6-trien-1-yl-N'-hydroxyoctanediamide
CID 89990895
N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
CID 123635058
N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide
CID 123970780
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
CID 126554359
N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
CID 142895284
N-[(E)-but-2-en-2-yl]-N'-hydroxyheptanediamide
CID 143666608
N'-hydroxy-N-(5-methylcyclohepta-1,3-dien-1-yl)octanediamide
CID 143726792

Frequently Asked Questions

What is the IUPAC name of N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide?
The IUPAC name of N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide (CID 123284208) is N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide.
What is the SMILES notation for N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide?
The canonical SMILES for N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide is CC=CC=C(C)NC(=O)CCCCCCCCC(=O)NO.
What is the InChIKey of N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide?
The InChIKey is HKPFUYPMACFZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-4-11-14(2)17-15(19)12-9-7-5-6-8-10-13-16(20)18-21/h3-4,11,21H,5-10,12-13H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide?
N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide has a molecular weight of 296.41 g/mol, XLogP of 3.21, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide is sourced from PubChem (CID 123284208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).