N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide

C13H18N2O5 — CID 107299515

IUPACN-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(O)CCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-10(16)5-4-8-14-13(17)9-20-12-7-3-2-6-11(12)15(18)19/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,14,17)
InChIKeyARHXHUYOKSFECH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.25
Rot. Bonds8

About N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide

N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 107299515) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
PubChem CID107299515
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(O)CCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-10(16)5-4-8-14-13(17)9-20-12-7-3-2-6-11(12)15(18)19/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,14,17)
InChIKeyARHXHUYOKSFECH-UHFFFAOYSA-N
XLogP1.25
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.25
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-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 7916925
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 115700067
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide (CID 107299515) is N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide is CC(O)CCCNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is ARHXHUYOKSFECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-10(16)5-4-8-14-13(17)9-20-12-7-3-2-6-11(12)15(18)19/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,14,17).
What are the key properties of N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide?
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 107299515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).