2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

C18H20N2O4 — CID 4944716

IUPAC2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C18H20N2O4/c1-11-5-6-13(3)17(9-11)24-14(4)18(21)19-16-10-15(20(22)23)8-7-12(16)2/h5-10,14H,1-4H3,(H,19,21)
InChIKeyOCSZDMSSETVJHN-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.93
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 4944716) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID4944716
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C18H20N2O4/c1-11-5-6-13(3)17(9-11)24-14(4)18(21)19-16-10-15(20(22)23)8-7-12(16)2/h5-10,14H,1-4H3,(H,19,21)
InChIKeyOCSZDMSSETVJHN-UHFFFAOYSA-N
XLogP3.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.93
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

(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733164
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
N-(2-chloro-5-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160860
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132652338
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941358
N'-[2-(2,5-dimethylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4945052

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (CID 4944716) is 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is OCSZDMSSETVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-5-6-13(3)17(9-11)24-14(4)18(21)19-16-10-15(20(22)23)8-7-12(16)2/h5-10,14H,1-4H3,(H,19,21).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 4944716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).