N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide

C18H26N2O4 — CID 25066353

IUPACN'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide
SMILESC=CCOC(CCCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C18H26N2O4/c1-2-14-24-16(12-8-3-4-9-13-17(21)20-23)18(22)19-15-10-6-5-7-11-15/h2,5-7,10-11,16,23H,1,3-4,8-9,12-14H2,(H,19,22)(H,20,21)
InChIKeyCYBXTSDCXMXSMK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.04
Rot. Bonds12

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

N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide (PubChem CID 25066353) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide
PubChem CID25066353
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide
SMILESC=CCOC(CCCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C18H26N2O4/c1-2-14-24-16(12-8-3-4-9-13-17(21)20-23)18(22)19-15-10-6-5-7-11-15/h2,5-7,10-11,16,23H,1,3-4,8-9,12-14H2,(H,19,22)(H,20,21)
InChIKeyCYBXTSDCXMXSMK-UHFFFAOYSA-N
XLogP3.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.04
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-enoxynonanediamide?
The IUPAC name of N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide (CID 25066353) is N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide.
What is the SMILES notation for N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide?
The canonical SMILES for N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide is C=CCOC(CCCCCCC(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide?
The InChIKey is CYBXTSDCXMXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-14-24-16(12-8-3-4-9-13-17(21)20-23)18(22)19-15-10-6-5-7-11-15/h2,5-7,10-11,16,23H,1,3-4,8-9,12-14H2,(H,19,22)(H,20,21).
What are the key properties of N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide?
N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide has a molecular weight of 334.42 g/mol, XLogP of 3.04, 12 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-enoxynonanediamide is sourced from PubChem (CID 25066353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).