N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide

C18H22N2O4 — CID 162645538

IUPACN-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide
SMILESNCCCCCCNC(=O)COC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O4/c19-9-5-1-2-6-10-20-17(22)12-24-16-11-15(21)13-7-3-4-8-14(13)18(16)23/h3-4,7-8,11H,1-2,5-6,9-10,12,19H2,(H,20,22)
InChIKeyWLFVUDSLBNXEBE-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.60
Rot. Bonds9

About N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide

N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide (PubChem CID 162645538) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide
PubChem CID162645538
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide
SMILESNCCCCCCNC(=O)COC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O4/c19-9-5-1-2-6-10-20-17(22)12-24-16-11-15(21)13-7-3-4-8-14(13)18(16)23/h3-4,7-8,11H,1-2,5-6,9-10,12,19H2,(H,20,22)
InChIKeyWLFVUDSLBNXEBE-UHFFFAOYSA-N
XLogP1.60
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide (CID 162645538) is N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide is NCCCCCCNC(=O)COC1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide?
The InChIKey is WLFVUDSLBNXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c19-9-5-1-2-6-10-20-17(22)12-24-16-11-15(21)13-7-3-4-8-14(13)18(16)23/h3-4,7-8,11H,1-2,5-6,9-10,12,19H2,(H,20,22).
What are the key properties of N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide?
N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide has a molecular weight of 330.38 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-(1,4-dioxonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 162645538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).