2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide

C18H17N3O6 — CID 24533995

IUPAC2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O6/c1-11(22)13-6-7-16(19-12(2)23)17(8-13)27-10-18(24)20-14-4-3-5-15(9-14)21(25)26/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyNMWKNJFLGUCCGZ-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.77
Rot. Bonds7

About 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide

2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide (PubChem CID 24533995) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
PubChem CID24533995
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O6/c1-11(22)13-6-7-16(19-12(2)23)17(8-13)27-10-18(24)20-14-4-3-5-15(9-14)21(25)26/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyNMWKNJFLGUCCGZ-UHFFFAOYSA-N
XLogP2.77
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)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

2-(2-acetamido-5-acetylphenoxy)-N-(3-fluorophenyl)acetamide
CID 24534011
2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 24534004
[2-(3-nitroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539798
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1311598
[2-(3-nitroanilino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535299
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 19202439
[2-(3-nitroanilino)-2-oxoethyl] 4-methylbenzoate
CID 2506640

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide (CID 24533995) is 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide is CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide?
The InChIKey is NMWKNJFLGUCCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-11(22)13-6-7-16(19-12(2)23)17(8-13)27-10-18(24)20-14-4-3-5-15(9-14)21(25)26/h3-9H,10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide?
2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide has a molecular weight of 371.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 24533995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).