N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide

C17H17N3O5 — CID 4810380

IUPACN-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-11(25-16-6-4-3-5-15(16)20(23)24)17(22)19-14-9-7-13(8-10-14)18-12(2)21/h3-11H,1-2H3,(H,18,21)(H,19,22)
InChIKeyTZBAENIWIGVWAC-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.96
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide

N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 4810380) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
PubChem CID4810380
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-11(25-16-6-4-3-5-15(16)20(23)24)17(22)19-14-9-7-13(8-10-14)18-12(2)21/h3-11H,1-2H3,(H,18,21)(H,19,22)
InChIKeyTZBAENIWIGVWAC-UHFFFAOYSA-N
XLogP2.96
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.96
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'}

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Related Compounds

(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
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
CID 4943664
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 4944896
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide (CID 4810380) is N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is TZBAENIWIGVWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11(25-16-6-4-3-5-15(16)20(23)24)17(22)19-14-9-7-13(8-10-14)18-12(2)21/h3-11H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide?
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide has a molecular weight of 343.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 4810380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).