N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide

C12H16N2O5 — CID 60655198

IUPACN-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
SMILESCCN(CCO)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O5/c1-2-13(7-8-15)12(16)9-19-11-5-3-10(4-6-11)14(17)18/h3-6,15H,2,7-9H2,1H3
InChIKeyGASVGJZAXIJOOT-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.81
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide

N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 60655198) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
PubChem CID60655198
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
SMILESCCN(CCO)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O5/c1-2-13(7-8-15)12(16)9-19-11-5-3-10(4-6-11)14(17)18/h3-6,15H,2,7-9H2,1H3
InChIKeyGASVGJZAXIJOOT-UHFFFAOYSA-N
XLogP0.81
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 112704729
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide
CID 78792180
N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
CID 75872502
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
2-(4-cyanophenoxy)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771645
2-(4-cyanophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655991
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
N-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253557

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide (CID 60655198) is N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide is CCN(CCO)C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is GASVGJZAXIJOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-13(7-8-15)12(16)9-19-11-5-3-10(4-6-11)14(17)18/h3-6,15H,2,7-9H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide?
N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 60655198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).