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

C13H18N2O5 — CID 27680554

IUPACN-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
SMILESCCOCCCNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O5/c1-2-19-9-3-8-14-13(16)10-20-12-6-4-11(5-7-12)15(17)18/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyJIJSLJHDDFLZNI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.52
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 27680554) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
PubChem CID27680554
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
SMILESCCOCCCNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O5/c1-2-19-9-3-8-14-13(16)10-20-12-6-4-11(5-7-12)15(17)18/h4-7H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyJIJSLJHDDFLZNI-UHFFFAOYSA-N
XLogP1.52
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
CID 78760477
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-nitrophenoxy)acetamide
CID 55660304
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
N-(3-ethoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 126143761
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
CID 35292228
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide (CID 27680554) is N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide is CCOCCCNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is JIJSLJHDDFLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-19-9-3-8-14-13(16)10-20-12-6-4-11(5-7-12)15(17)18/h4-7H,2-3,8-10H2,1H3,(H,14,16).
What are the key properties of N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide?
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 27680554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).