N',2-dihydroxy-N-phenyloctanediamide

C14H20N2O4 — CID 25065929

IUPACN',2-dihydroxy-N-phenyloctanediamide
SMILESO=C(CCCCCC(O)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C14H20N2O4/c17-12(9-5-2-6-10-13(18)16-20)14(19)15-11-7-3-1-4-8-11/h1,3-4,7-8,12,17,20H,2,5-6,9-10H2,(H,15,19)(H,16,18)
InChIKeyZJKUBOBFXFZYHR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.44
Rot. Bonds8

About N',2-dihydroxy-N-phenyloctanediamide

N',2-dihydroxy-N-phenyloctanediamide (PubChem CID 25065929) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N',2-dihydroxy-N-phenyloctanediamide.

Molecular Properties

Compound NameN',2-dihydroxy-N-phenyloctanediamide
PubChem CID25065929
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN',2-dihydroxy-N-phenyloctanediamide
SMILESO=C(CCCCCC(O)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C14H20N2O4/c17-12(9-5-2-6-10-13(18)16-20)14(19)15-11-7-3-1-4-8-11/h1,3-4,7-8,12,17,20H,2,5-6,9-10H2,(H,15,19)(H,16,18)
InChIKeyZJKUBOBFXFZYHR-UHFFFAOYSA-N
XLogP1.44
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.44
H-Bond Donors ≤ 54
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',2-dihydroxy-N-phenyloctanediamide?
The IUPAC name of N',2-dihydroxy-N-phenyloctanediamide (CID 25065929) is N',2-dihydroxy-N-phenyloctanediamide.
What is the SMILES notation for N',2-dihydroxy-N-phenyloctanediamide?
The canonical SMILES for N',2-dihydroxy-N-phenyloctanediamide is O=C(CCCCCC(O)C(=O)Nc1ccccc1)NO.
What is the InChIKey of N',2-dihydroxy-N-phenyloctanediamide?
The InChIKey is ZJKUBOBFXFZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-12(9-5-2-6-10-13(18)16-20)14(19)15-11-7-3-1-4-8-11/h1,3-4,7-8,12,17,20H,2,5-6,9-10H2,(H,15,19)(H,16,18).
What are the key properties of N',2-dihydroxy-N-phenyloctanediamide?
N',2-dihydroxy-N-phenyloctanediamide has a molecular weight of 280.32 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dihydroxy-N-phenyloctanediamide is sourced from PubChem (CID 25065929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).