N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide

C14H18N2O5 — CID 115700067

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESC=C(C)COCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-11(2)9-20-8-7-15-14(17)10-21-13-6-4-3-5-12(13)16(18)19/h3-6H,1,7-10H2,2H3,(H,15,17)
InChIKeyDMVWUSSTXJAILI-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.68
Rot. Bonds9

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 115700067) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
PubChem CID115700067
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESC=C(C)COCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-11(2)9-20-8-7-15-14(17)10-21-13-6-4-3-5-12(13)16(18)19/h3-6H,1,7-10H2,2H3,(H,15,17)
InChIKeyDMVWUSSTXJAILI-UHFFFAOYSA-N
XLogP1.68
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 7916925
N-(2-acetamidoethyl)-4-(2-nitrophenoxy)butanamide
CID 84553535
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 4823165

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide (CID 115700067) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide is C=C(C)COCCNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is DMVWUSSTXJAILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-11(2)9-20-8-7-15-14(17)10-21-13-6-4-3-5-12(13)16(18)19/h3-6H,1,7-10H2,2H3,(H,15,17).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 115700067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).