N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide

C14H22N2O3 — CID 123970780

IUPACN-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NC1=CC=CCC1)NO
InChIInChI=1S/C14H22N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-4,8,19H,1-2,5-7,9-11H2,(H,15,17)(H,16,18)
InChIKeyUCTLEVZHWJGKSC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds8

About N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide

N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide (PubChem CID 123970780) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide
PubChem CID123970780
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NC1=CC=CCC1)NO
InChIInChI=1S/C14H22N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-4,8,19H,1-2,5-7,9-11H2,(H,15,17)(H,16,18)
InChIKeyUCTLEVZHWJGKSC-UHFFFAOYSA-N
XLogP2.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.18
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'}

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Related Compounds

N-(4-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)octadecanamide
CID 154411986
N-cyclohexa-1,5-dien-1-yloctanamide
CID 23042469
N-[2-(dodecanoylamino)cyclohexa-1,3-dien-1-yl]dodecanamide
CID 66795794
N-[2-(octanoylamino)cyclohexa-1,3-dien-1-yl]octanamide
CID 66796005
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N'-hydroxyoctanediamide
CID 88613344
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-cyclohexa-1,5-dien-1-yl-8-oxononanamide
CID 123178167
N-hexa-2,4-dien-2-yl-N'-hydroxydecanediamide
CID 123284208
N-hepta-1,3,5-trien-3-yl-N'-hydroxyoctanediamide
CID 123635058
N'-hydroxy-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]octanediamide
CID 126554359

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide (CID 123970780) is N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)NC1=CC=CCC1)NO.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide?
The InChIKey is UCTLEVZHWJGKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-4,8,19H,1-2,5-7,9-11H2,(H,15,17)(H,16,18).
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide?
N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide has a molecular weight of 266.34 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N'-hydroxyoctanediamide is sourced from PubChem (CID 123970780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).