2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide

C17H18N2O4 — CID 53266753

IUPAC2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C
InChIInChI=1S/C17H18N2O4/c1-11-7-6-10-16(12(11)2)23-13(3)17(20)18-14-8-4-5-9-15(14)19(21)22/h4-10,13H,1-3H3,(H,18,20)
InChIKeyJRNWCWDJVYVURA-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.62
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide

2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide (PubChem CID 53266753) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
PubChem CID53266753
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C
InChIInChI=1S/C17H18N2O4/c1-11-7-6-10-16(12(11)2)23-13(3)17(20)18-14-8-4-5-9-15(14)19(21)22/h4-10,13H,1-3H3,(H,18,20)
InChIKeyJRNWCWDJVYVURA-UHFFFAOYSA-N
XLogP3.62
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.62
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'}

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Related Compounds

[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982032
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7968311
(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 93488024
2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266594
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide (CID 53266753) is 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide?
The InChIKey is JRNWCWDJVYVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-7-6-10-16(12(11)2)23-13(3)17(20)18-14-8-4-5-9-15(14)19(21)22/h4-10,13H,1-3H3,(H,18,20).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide?
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide has a molecular weight of 314.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 53266753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).