N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide

C14H22N2O3 — CID 88968709

IUPACN-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NC1=CCCC=C1)NO
InChIInChI=1S/C14H22N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h4,8-9,19H,1-3,5-7,10-11H2,(H,15,17)(H,16,18)
InChIKeySWHRVJLZTFGNJU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds8

About N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide

N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide (PubChem CID 88968709) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide
PubChem CID88968709
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NC1=CCCC=C1)NO
InChIInChI=1S/C14H22N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h4,8-9,19H,1-3,5-7,10-11H2,(H,15,17)(H,16,18)
InChIKeySWHRVJLZTFGNJU-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide (CID 88968709) is N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)NC1=CCCC=C1)NO.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide?
The InChIKey is SWHRVJLZTFGNJU-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/h4,8-9,19H,1-3,5-7,10-11H2,(H,15,17)(H,16,18).
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N'-hydroxyoctanediamide?
N-cyclohexa-1,5-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-1,5-dien-1-yl-N'-hydroxyoctanediamide is sourced from PubChem (CID 88968709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).