N-hydroxy-N-(3-methoxyphenyl)non-2-enamide

C16H23NO3 — CID 173033279

IUPACN-hydroxy-N-(3-methoxyphenyl)non-2-enamide
SMILESCCCCCCC=CC(=O)N(O)c1cccc(OC)c1
InChIInChI=1S/C16H23NO3/c1-3-4-5-6-7-8-12-16(18)17(19)14-10-9-11-15(13-14)20-2/h8-13,19H,3-7H2,1-2H3
InChIKeyQVDPTQNKCRPSGT-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.94
Rot. Bonds8

About N-hydroxy-N-(3-methoxyphenyl)non-2-enamide

N-hydroxy-N-(3-methoxyphenyl)non-2-enamide (PubChem CID 173033279) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-hydroxy-N-(3-methoxyphenyl)non-2-enamide.

Molecular Properties

Compound NameN-hydroxy-N-(3-methoxyphenyl)non-2-enamide
PubChem CID173033279
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-hydroxy-N-(3-methoxyphenyl)non-2-enamide
SMILESCCCCCCC=CC(=O)N(O)c1cccc(OC)c1
InChIInChI=1S/C16H23NO3/c1-3-4-5-6-7-8-12-16(18)17(19)14-10-9-11-15(13-14)20-2/h8-13,19H,3-7H2,1-2H3
InChIKeyQVDPTQNKCRPSGT-UHFFFAOYSA-N
XLogP3.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', '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-(3-methoxyphenyl)non-2-enamide?
The IUPAC name of N-hydroxy-N-(3-methoxyphenyl)non-2-enamide (CID 173033279) is N-hydroxy-N-(3-methoxyphenyl)non-2-enamide.
What is the SMILES notation for N-hydroxy-N-(3-methoxyphenyl)non-2-enamide?
The canonical SMILES for N-hydroxy-N-(3-methoxyphenyl)non-2-enamide is CCCCCCC=CC(=O)N(O)c1cccc(OC)c1.
What is the InChIKey of N-hydroxy-N-(3-methoxyphenyl)non-2-enamide?
The InChIKey is QVDPTQNKCRPSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-4-5-6-7-8-12-16(18)17(19)14-10-9-11-15(13-14)20-2/h8-13,19H,3-7H2,1-2H3.
What are the key properties of N-hydroxy-N-(3-methoxyphenyl)non-2-enamide?
N-hydroxy-N-(3-methoxyphenyl)non-2-enamide has a molecular weight of 277.36 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(3-methoxyphenyl)non-2-enamide is sourced from PubChem (CID 173033279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).