2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide

C14H19N3O5 — CID 8648040

IUPAC2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H19N3O5/c1-3-6-15-13(18)8-16-14(19)9-22-11-4-5-12(17(20)21)10(2)7-11/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCZBCCYQZCMEORF-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.92
Rot. Bonds8

About 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide

2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide (PubChem CID 8648040) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
PubChem CID8648040
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H19N3O5/c1-3-6-15-13(18)8-16-14(19)9-22-11-4-5-12(17(20)21)10(2)7-11/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCZBCCYQZCMEORF-UHFFFAOYSA-N
XLogP0.92
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
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 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide 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

3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
(2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8648080
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648147
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406843
2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide (CID 8648040) is 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide?
The InChIKey is CZBCCYQZCMEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-3-6-15-13(18)8-16-14(19)9-22-11-4-5-12(17(20)21)10(2)7-11/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide?
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide has a molecular weight of 309.32 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8648040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).