N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide

C11H14N2O5 — CID 43391408

IUPACN-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCCO
InChIInChI=1S/C11H14N2O5/c14-7-1-6-12-11(15)8-18-10-4-2-9(3-5-10)13(16)17/h2-5,14H,1,6-8H2,(H,12,15)
InChIKeyFXGKVUHAWRDYJF-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.47
Rot. Bonds7

About N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide

N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 43391408) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
PubChem CID43391408
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCCCO
InChIInChI=1S/C11H14N2O5/c14-7-1-6-12-11(15)8-18-10-4-2-9(3-5-10)13(16)17/h2-5,14H,1,6-8H2,(H,12,15)
InChIKeyFXGKVUHAWRDYJF-UHFFFAOYSA-N
XLogP0.47
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.47
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-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
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
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide (CID 43391408) is N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is FXGKVUHAWRDYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-7-1-6-12-11(15)8-18-10-4-2-9(3-5-10)13(16)17/h2-5,14H,1,6-8H2,(H,12,15).
What are the key properties of N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide?
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 254.24 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 43391408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).