(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

C18H20N2O4 — CID 9236398

IUPAC(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C18H20N2O4/c1-4-14-6-9-16(10-7-14)24-13(3)18(21)19-17-11-15(20(22)23)8-5-12(17)2/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyWVRZGNSDBAKPDP-ZDUSSCGKSA-N
MW328.37 g/mol
LogP3.87
Rot. Bonds6

About (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 9236398) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID9236398
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C18H20N2O4/c1-4-14-6-9-16(10-7-14)24-13(3)18(21)19-17-11-15(20(22)23)8-5-12(17)2/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyWVRZGNSDBAKPDP-ZDUSSCGKSA-N
XLogP3.87
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.87
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

2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 4953312
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
N-[4-methyl-3-(propanoylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 46761075
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 4944716
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (CID 9236398) is (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is CCc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is WVRZGNSDBAKPDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-14-6-9-16(10-7-14)24-13(3)18(21)19-17-11-15(20(22)23)8-5-12(17)2/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 9236398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).