(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

C18H20N2O4 — CID 99951167

IUPAC(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C18H20N2O4/c1-4-14-7-5-6-8-17(14)24-13(3)18(21)19-16-11-15(20(22)23)10-9-12(16)2/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyRPEOHMHYNDAPSV-CYBMUJFWSA-N
MW328.37 g/mol
LogP3.87
Rot. Bonds6

About (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 99951167) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID99951167
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C18H20N2O4/c1-4-14-7-5-6-8-17(14)24-13(3)18(21)19-16-11-15(20(22)23)10-9-12(16)2/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyRPEOHMHYNDAPSV-CYBMUJFWSA-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

(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 4944716
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 92646434
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46771310
(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)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733164
2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46763828
2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 60528472

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (CID 99951167) is (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is CCc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is RPEOHMHYNDAPSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-14-7-5-6-8-17(14)24-13(3)18(21)19-16-11-15(20(22)23)10-9-12(16)2/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
(2R)-2-(2-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 (2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 99951167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).