N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C13H16N2O4 — CID 129405272

IUPACN-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c2c1C[C@H](NC(C)=O)CC2
InChIInChI=1S/C13H16N2O4/c1-8(16)14-9-3-4-10-11(7-9)13(19-2)6-5-12(10)15(17)18/h5-6,9H,3-4,7H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyLYGKODUFSTUJSY-SECBINFHSA-N
MW264.28 g/mol
LogP1.60
Rot. Bonds3

About N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 129405272) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID129405272
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c2c1C[C@H](NC(C)=O)CC2
InChIInChI=1S/C13H16N2O4/c1-8(16)14-9-3-4-10-11(7-9)13(19-2)6-5-12(10)15(17)18/h5-6,9H,3-4,7H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyLYGKODUFSTUJSY-SECBINFHSA-N
XLogP1.60
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.60
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

N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide
CID 49348710
(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)urea;formic acid
CID 158989698
N-[(7S)-3-amino-4-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-7-yl]acetamide;N-[(7S)-1-chloro-4-methoxy-3-nitro-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-7-yl]acetamide;N-[(7S)-1-chloro-4-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-7-yl]acetamide
CID 157298192
N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 125463800
8-methoxy-2-methyl-5-nitro-3,4-dihydro-1H-isoquinoline
CID 118465164
N-(6-bromo-5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoroacetamide
CID 22082988
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
N-(4-chlorocyclohexyl)-4-methoxy-3-nitrobenzamide
CID 114297314
N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
2,2,2-trifluoro-N-(8-methoxy-5-sulfamoyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 76585456
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 129405272) is N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is COc1ccc([N+](=O)[O-])c2c1C[C@H](NC(C)=O)CC2.
What is the InChIKey of N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is LYGKODUFSTUJSY-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)14-9-3-4-10-11(7-9)13(19-2)6-5-12(10)15(17)18/h5-6,9H,3-4,7H2,1-2H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 129405272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).