9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide

C19H32N2O4 — CID 89222796

IUPAC9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide
SMILESNCCC(O)CCCC(CCCCOO)CC(=O)Nc1ccccc1
InChIInChI=1S/C19H32N2O4/c20-13-12-18(22)11-6-8-16(7-4-5-14-25-24)15-19(23)21-17-9-2-1-3-10-17/h1-3,9-10,16,18,22,24H,4-8,11-15,20H2,(H,21,23)
InChIKeyINQSAYMKHQKNFW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.17
Rot. Bonds14

About 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide

9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide (PubChem CID 89222796) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide.

Molecular Properties

Compound Name9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide
PubChem CID89222796
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide
SMILESNCCC(O)CCCC(CCCCOO)CC(=O)Nc1ccccc1
InChIInChI=1S/C19H32N2O4/c20-13-12-18(22)11-6-8-16(7-4-5-14-25-24)15-19(23)21-17-9-2-1-3-10-17/h1-3,9-10,16,18,22,24H,4-8,11-15,20H2,(H,21,23)
InChIKeyINQSAYMKHQKNFW-UHFFFAOYSA-N
XLogP3.17
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide?
The IUPAC name of 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide (CID 89222796) is 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide.
What is the SMILES notation for 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide?
The canonical SMILES for 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide is NCCC(O)CCCC(CCCCOO)CC(=O)Nc1ccccc1.
What is the InChIKey of 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide?
The InChIKey is INQSAYMKHQKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c20-13-12-18(22)11-6-8-16(7-4-5-14-25-24)15-19(23)21-17-9-2-1-3-10-17/h1-3,9-10,16,18,22,24H,4-8,11-15,20H2,(H,21,23).
What are the key properties of 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide?
9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide has a molecular weight of 352.48 g/mol, XLogP of 3.17, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3-(4-hydroperoxybutyl)-7-hydroxy-N-phenylnonanamide is sourced from PubChem (CID 89222796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).