N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide

C14H20N2O5 — CID 103919606

IUPACN-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCCCCCO
InChIInChI=1S/C14H20N2O5/c17-10-4-2-1-3-9-15-14(18)11-21-13-7-5-12(6-8-13)16(19)20/h5-8,17H,1-4,9-11H2,(H,15,18)
InChIKeyGMOARBOOOGPQGB-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.64
Rot. Bonds10

About N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide

N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 103919606) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
PubChem CID103919606
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCCCCCO
InChIInChI=1S/C14H20N2O5/c17-10-4-2-1-3-9-15-14(18)11-21-13-7-5-12(6-8-13)16(19)20/h5-8,17H,1-4,9-11H2,(H,15,18)
InChIKeyGMOARBOOOGPQGB-UHFFFAOYSA-N
XLogP1.64
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
N-(heptylcarbamothioyl)-2-(4-nitrophenoxy)acetamide
CID 3354730
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
CID 55660304
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 55907894

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide (CID 103919606) is N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is GMOARBOOOGPQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c17-10-4-2-1-3-9-15-14(18)11-21-13-7-5-12(6-8-13)16(19)20/h5-8,17H,1-4,9-11H2,(H,15,18).
What are the key properties of N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide?
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 296.32 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 103919606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).