(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C20H24N2O4 — CID 100746908

IUPAC(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C20H24N2O4/c1-12(2)16-10-9-13(3)11-19(16)26-15(5)20(23)21-17-7-6-8-18(14(17)4)22(24)25/h6-12,15H,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyJIEKIXDMNMVAHI-OAHLLOKOSA-N
MW356.42 g/mol
LogP4.74
Rot. Bonds6

About (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 100746908) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID100746908
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C20H24N2O4/c1-12(2)16-10-9-13(3)11-19(16)26-15(5)20(23)21-17-7-6-8-18(14(17)4)22(24)25/h6-12,15H,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyJIEKIXDMNMVAHI-OAHLLOKOSA-N
XLogP4.74
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.74
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)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 93488024
N-(2-chloro-5-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160860
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
methyl 2-hydroxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 56576066
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100679238
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206084
2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 24500733

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 100746908) is (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1.
What is the InChIKey of (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is JIEKIXDMNMVAHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12(2)16-10-9-13(3)11-19(16)26-15(5)20(23)21-17-7-6-8-18(14(17)4)22(24)25/h6-12,15H,1-5H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 356.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 100746908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).