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

C16H15N3O6 — CID 9205348

IUPAC(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O6/c1-10-7-8-12(18(21)22)9-13(10)17-16(20)11(2)25-15-6-4-3-5-14(15)19(23)24/h3-9,11H,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyRYRZUUWRYWENBN-LLVKDONJSA-N
MW345.31 g/mol
LogP3.22
Rot. Bonds6

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

(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 9205348) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
PubChem CID9205348
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O6/c1-10-7-8-12(18(21)22)9-13(10)17-16(20)11(2)25-15-6-4-3-5-14(15)19(23)24/h3-9,11H,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyRYRZUUWRYWENBN-LLVKDONJSA-N
XLogP3.22
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 4944716
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
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
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide (CID 9205348) is (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is RYRZUUWRYWENBN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-10-7-8-12(18(21)22)9-13(10)17-16(20)11(2)25-15-6-4-3-5-14(15)19(23)24/h3-9,11H,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide has a molecular weight of 345.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 9205348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).