N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene

C16H28N2O3 — CID 142895284

IUPACN'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
SMILESC=C/C(=C\C)NC(=O)CCCCCCC(=O)NO.C=CC
InChIInChI=1S/C13H22N2O3.C3H6/c1-3-11(4-2)14-12(16)9-7-5-6-8-10-13(17)15-18;1-3-2/h3-4,18H,1,5-10H2,2H3,(H,14,16)(H,15,17);3H,1H2,2H3/b11-4+;
InChIKeyQGTIYPLRAZVYLS-SODSUQDMSA-N
MW296.41 g/mol
LogP3.23
Rot. Bonds9

About N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene

N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene (PubChem CID 142895284) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene.

Molecular Properties

Compound NameN'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
PubChem CID142895284
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene
SMILESC=C/C(=C\C)NC(=O)CCCCCCC(=O)NO.C=CC
InChIInChI=1S/C13H22N2O3.C3H6/c1-3-11(4-2)14-12(16)9-7-5-6-8-10-13(17)15-18;1-3-2/h3-4,18H,1,5-10H2,2H3,(H,14,16)(H,15,17);3H,1H2,2H3/b11-4+;
InChIKeyQGTIYPLRAZVYLS-SODSUQDMSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.23
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': 'isolated_alkene', '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-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide
CID 123284208
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-[5-(propan-2-ylamino)cyclohepta-1,3,5-trien-1-yl]octanediamide
CID 132134647
N-[(E)-hex-3-en-3-yl]-N'-[(3E)-penta-1,3-dien-3-yl]decanediamide
CID 142204504

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene?
The IUPAC name of N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene (CID 142895284) is N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene.
What is the SMILES notation for N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene?
The canonical SMILES for N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene is C=C/C(=C\C)NC(=O)CCCCCCC(=O)NO.C=CC.
What is the InChIKey of N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene?
The InChIKey is QGTIYPLRAZVYLS-SODSUQDMSA-N. The full InChI is InChI=1S/C13H22N2O3.C3H6/c1-3-11(4-2)14-12(16)9-7-5-6-8-10-13(17)15-18;1-3-2/h3-4,18H,1,5-10H2,2H3,(H,14,16)(H,15,17);3H,1H2,2H3/b11-4+;.
What are the key properties of N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene?
N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene has a molecular weight of 296.41 g/mol, XLogP of 3.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(3E)-penta-1,3-dien-3-yl]octanediamide;prop-1-ene is sourced from PubChem (CID 142895284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).