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

C16H15N3O7 — CID 7816909

IUPAC(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O7/c1-10(26-13-6-3-11(4-7-13)18(21)22)16(20)17-14-8-5-12(19(23)24)9-15(14)25-2/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyQJXQXJMCCKBTCT-SNVBAGLBSA-N
MW361.31 g/mol
LogP2.92
Rot. Bonds7

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

(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 7816909) has the molecular formula C16H15N3O7 and a molecular weight of 361.31 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
PubChem CID7816909
Molecular FormulaC16H15N3O7
Molecular Weight361.31 g/mol
Exact Mass361.09
IUPAC Name(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O7/c1-10(26-13-6-3-11(4-7-13)18(21)22)16(20)17-14-8-5-12(19(23)24)9-15(14)25-2/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyQJXQXJMCCKBTCT-SNVBAGLBSA-N
XLogP2.92
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.92
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

(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7763855
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983907
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide (CID 7816909) is (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is QJXQXJMCCKBTCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O7/c1-10(26-13-6-3-11(4-7-13)18(21)22)16(20)17-14-8-5-12(19(23)24)9-15(14)25-2/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide?
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide has a molecular weight of 361.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 7816909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).