2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide

C16H16N2O4 — CID 133348005

IUPAC2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-11(2)16(19)17-12-7-9-13(10-8-12)22-15-6-4-3-5-14(15)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeySUBRXNPCCAZBCG-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.98
Rot. Bonds5

About 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide

2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide (PubChem CID 133348005) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
PubChem CID133348005
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-11(2)16(19)17-12-7-9-13(10-8-12)22-15-6-4-3-5-14(15)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeySUBRXNPCCAZBCG-UHFFFAOYSA-N
XLogP3.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide 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-[4-(2-nitrophenoxy)phenyl]benzamide
CID 9110945
2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
CID 133429749
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide
CID 133348022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide (CID 133348005) is 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide is CC(C)C(=O)Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide?
The InChIKey is SUBRXNPCCAZBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(2)16(19)17-12-7-9-13(10-8-12)22-15-6-4-3-5-14(15)18(20)21/h3-11H,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide?
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide has a molecular weight of 300.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide is sourced from PubChem (CID 133348005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).