2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C18H18N2O4 — CID 2633121

IUPAC2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H18N2O4/c21-18(12-24-17-11-4-3-10-16(17)20(22)23)19-15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,19,21)/t15-/m0/s1
InChIKeyKOVWYLOJAJZJCP-HNNXBMFYSA-N
MW326.35 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 2633121) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID2633121
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H18N2O4/c21-18(12-24-17-11-4-3-10-16(17)20(22)23)19-15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,19,21)/t15-/m0/s1
InChIKeyKOVWYLOJAJZJCP-HNNXBMFYSA-N
XLogP3.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.17
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

2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 48846540
N'-[2-(2-nitrophenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42947058
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
2-(2-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4235995
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-nitrophenoxy)acetamide
CID 51247327
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709138
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 3291281
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate
CID 18193989
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-nitrobenzoate
CID 2622405

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 2633121) is 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is KOVWYLOJAJZJCP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-18(12-24-17-11-4-3-10-16(17)20(22)23)19-15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 326.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 2633121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).