N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide

C17H24N2O4 — CID 25065931

IUPACN'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide
SMILESC=CCOC(CCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-2-13-23-15(11-7-4-8-12-16(20)19-22)17(21)18-14-9-5-3-6-10-14/h2-3,5-6,9-10,15,22H,1,4,7-8,11-13H2,(H,18,21)(H,19,20)
InChIKeyKPKWEJNZWZGOID-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.65
Rot. Bonds11

About N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide

N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide (PubChem CID 25065931) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide
PubChem CID25065931
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide
SMILESC=CCOC(CCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-2-13-23-15(11-7-4-8-12-16(20)19-22)17(21)18-14-9-5-3-6-10-14/h2-3,5-6,9-10,15,22H,1,4,7-8,11-13H2,(H,18,21)(H,19,20)
InChIKeyKPKWEJNZWZGOID-UHFFFAOYSA-N
XLogP2.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.65
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': 'isolated_alkene', '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-phenyl-2-prop-2-enoxyoctanediamide?
The IUPAC name of N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide (CID 25065931) is N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide.
What is the SMILES notation for N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide?
The canonical SMILES for N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide is C=CCOC(CCCCCC(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide?
The InChIKey is KPKWEJNZWZGOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-13-23-15(11-7-4-8-12-16(20)19-22)17(21)18-14-9-5-3-6-10-14/h2-3,5-6,9-10,15,22H,1,4,7-8,11-13H2,(H,18,21)(H,19,20).
What are the key properties of N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide?
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide has a molecular weight of 320.39 g/mol, XLogP of 2.65, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide is sourced from PubChem (CID 25065931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).