N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide

C18H23N3O3 — CID 122182529

IUPACN'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide
SMILESO=C(CCCCCCC(=O)NCc1ccc2ccccc2n1)NO
InChIInChI=1S/C18H23N3O3/c22-17(9-3-1-2-4-10-18(23)21-24)19-13-15-12-11-14-7-5-6-8-16(14)20-15/h5-8,11-12,24H,1-4,9-10,13H2,(H,19,22)(H,21,23)
InChIKeyCJJZZZNXLRPEPX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.70
Rot. Bonds9

About N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide

N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide (PubChem CID 122182529) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide
PubChem CID122182529
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide
SMILESO=C(CCCCCCC(=O)NCc1ccc2ccccc2n1)NO
InChIInChI=1S/C18H23N3O3/c22-17(9-3-1-2-4-10-18(23)21-24)19-13-15-12-11-14-7-5-6-8-16(14)20-15/h5-8,11-12,24H,1-4,9-10,13H2,(H,19,22)(H,21,23)
InChIKeyCJJZZZNXLRPEPX-UHFFFAOYSA-N
XLogP2.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.70
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide?
The IUPAC name of N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide (CID 122182529) is N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide is O=C(CCCCCCC(=O)NCc1ccc2ccccc2n1)NO.
What is the InChIKey of N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide?
The InChIKey is CJJZZZNXLRPEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(9-3-1-2-4-10-18(23)21-24)19-13-15-12-11-14-7-5-6-8-16(14)20-15/h5-8,11-12,24H,1-4,9-10,13H2,(H,19,22)(H,21,23).
What are the key properties of N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide?
N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide has a molecular weight of 329.40 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide is sourced from PubChem (CID 122182529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).