(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

C17H17N3O7 — CID 8941065

IUPAC(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O7/c1-10-4-7-16(15(8-10)20(24)25)27-11(2)17(21)18-13-6-5-12(26-3)9-14(13)19(22)23/h4-9,11H,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyBAZZJUOMHVZAID-LLVKDONJSA-N
MW375.34 g/mol
LogP3.23
Rot. Bonds7

About (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (PubChem CID 8941065) has the molecular formula C17H17N3O7 and a molecular weight of 375.34 g/mol. Its IUPAC name is (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
PubChem CID8941065
Molecular FormulaC17H17N3O7
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Name(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O7/c1-10-4-7-16(15(8-10)20(24)25)27-11(2)17(21)18-13-6-5-12(26-3)9-14(13)19(22)23/h4-9,11H,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyBAZZJUOMHVZAID-LLVKDONJSA-N
XLogP3.23
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 8728702
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
CID 8886627
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941358
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
(2R)-2-(4-methyl-2-nitrophenoxy)-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 8562702
(2S)-N-(2,4-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8558864
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7473538

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (CID 8941065) is (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The InChIKey is BAZZJUOMHVZAID-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N3O7/c1-10-4-7-16(15(8-10)20(24)25)27-11(2)17(21)18-13-6-5-12(26-3)9-14(13)19(22)23/h4-9,11H,1-3H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide has a molecular weight of 375.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8941065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).