N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide

C12H16N2O5 — CID 112704729

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
SMILESCC(CO)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O5/c1-9(7-15)13(2)12(16)8-19-11-5-3-10(4-6-11)14(17)18/h3-6,9,15H,7-8H2,1-2H3
InChIKeyGANANYRTUVEOKF-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.81
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide

N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide (PubChem CID 112704729) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
PubChem CID112704729
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
SMILESCC(CO)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O5/c1-9(7-15)13(2)12(16)8-19-11-5-3-10(4-6-11)14(17)18/h3-6,9,15H,7-8H2,1-2H3
InChIKeyGANANYRTUVEOKF-UHFFFAOYSA-N
XLogP0.81
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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'}

Analyze N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-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-N-methyl-2-(4-nitrophenoxy)acetamide
CID 75872502
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 54856792
N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
CID 60655198
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
ethyl 4-[2-(N-methyl-4-nitroanilino)-2-oxoethoxy]benzoate
CID 42156725
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 32943243
1-methoxy-3-(4-nitrophenoxy)propan-2-one
CID 107508000
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 46566201

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide (CID 112704729) is N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide is CC(CO)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
The InChIKey is GANANYRTUVEOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-9(7-15)13(2)12(16)8-19-11-5-3-10(4-6-11)14(17)18/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide?
N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 112704729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).