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

C11H14N2O5 — CID 35965140

IUPACN-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCCNC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-3-12-11(14)7-18-10-5-4-8(17-2)6-9(10)13(15)16/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyJNFWKXPNOWLESQ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.12
Rot. Bonds6

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

N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 35965140) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID35965140
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCCNC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-3-12-11(14)7-18-10-5-4-8(17-2)6-9(10)13(15)16/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyJNFWKXPNOWLESQ-UHFFFAOYSA-N
XLogP1.12
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.12
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'}

Analyze N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338696
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2563855
(4-ethoxyphenyl) 2-(4-methoxy-2-nitrophenoxy)acetate
CID 8886693
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 35965140) is N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide is CCNC(=O)COc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is JNFWKXPNOWLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-12-11(14)7-18-10-5-4-8(17-2)6-9(10)13(15)16/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 254.24 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 35965140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).