2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

C18H22N2O4 — CID 124780220

IUPAC2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C18H22N2O4/c21-18(10-24-17-7-2-1-6-16(17)20(22)23)19-15-9-11-8-14(15)13-5-3-4-12(11)13/h1-2,6-7,11-15H,3-5,8-10H2,(H,19,21)/t11-,12+,13-,14+,15-/m1/s1
InChIKeyZZUHCLYKPZDJLG-QKGCVVFFSA-N
MW330.38 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (PubChem CID 124780220) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
PubChem CID124780220
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21
InChIInChI=1S/C18H22N2O4/c21-18(10-24-17-7-2-1-6-16(17)20(22)23)19-15-9-11-8-14(15)13-5-3-4-12(11)13/h1-2,6-7,11-15H,3-5,8-10H2,(H,19,21)/t11-,12+,13-,14+,15-/m1/s1
InChIKeyZZUHCLYKPZDJLG-QKGCVVFFSA-N
XLogP2.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.91
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-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide
CID 59992189
2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124786369
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
CID 34060563
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-nitrophenoxy)acetamide
CID 51247327
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
CID 8800431

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (CID 124780220) is 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The InChIKey is ZZUHCLYKPZDJLG-QKGCVVFFSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-18(10-24-17-7-2-1-6-16(17)20(22)23)19-15-9-11-8-14(15)13-5-3-4-12(11)13/h1-2,6-7,11-15H,3-5,8-10H2,(H,19,21)/t11-,12+,13-,14+,15-/m1/s1.
What are the key properties of 2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.91, 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-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is sourced from PubChem (CID 124780220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).