(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide

C20H18N2O5 — CID 7851039

IUPAC(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12
InChIInChI=1S/C20H18N2O5/c1-13(27-18-9-5-7-14-6-3-4-8-16(14)18)20(23)21-17-11-10-15(22(24)25)12-19(17)26-2/h3-13H,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyYRQYMNQUQJRWAX-CYBMUJFWSA-N
MW366.37 g/mol
LogP4.16
Rot. Bonds6

About (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide

(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide (PubChem CID 7851039) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
PubChem CID7851039
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12
InChIInChI=1S/C20H18N2O5/c1-13(27-18-9-5-7-14-6-3-4-8-16(14)18)20(23)21-17-11-10-15(22(24)25)12-19(17)26-2/h3-13H,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyYRQYMNQUQJRWAX-CYBMUJFWSA-N
XLogP4.16
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 7782860
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763186
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] benzoate
CID 17425338
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide?
The IUPAC name of (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide (CID 7851039) is (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12.
What is the InChIKey of (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide?
The InChIKey is YRQYMNQUQJRWAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-13(27-18-9-5-7-14-6-3-4-8-16(14)18)20(23)21-17-11-10-15(22(24)25)12-19(17)26-2/h3-13H,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide?
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide has a molecular weight of 366.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 7851039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).