2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C19H20N2O5 — CID 48846540

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc(OCC(=O)NC2CCCc3ccccc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O5/c1-25-18-11-14(9-10-17(18)21(23)24)26-12-19(22)20-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3,(H,20,22)
InChIKeyJMSKFKDOLAWKKK-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.18
Rot. Bonds6

About 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 48846540) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID48846540
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc(OCC(=O)NC2CCCc3ccccc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O5/c1-25-18-11-14(9-10-17(18)21(23)24)26-12-19(22)20-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3,(H,20,22)
InChIKeyJMSKFKDOLAWKKK-UHFFFAOYSA-N
XLogP3.18
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.18
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

2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
methyl 4-methoxy-2-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzoate
CID 7705059
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
CID 40810648
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677851
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
2-quinolin-6-yloxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75405661

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 48846540) is 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1cc(OCC(=O)NC2CCCc3ccccc32)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is JMSKFKDOLAWKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-18-11-14(9-10-17(18)21(23)24)26-12-19(22)20-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3,(H,20,22).
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 48846540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).