2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide

C17H23N3O6 — CID 7931983

IUPAC2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H23N3O6/c1-11-5-3-4-6-13(11)18-17(22)19-16(21)10-26-15-9-12(20(23)24)7-8-14(15)25-2/h7-9,11,13H,3-6,10H2,1-2H3,(H2,18,19,21,22)/t11-,13+/m1/s1
InChIKeyIUROSJARFOGLFN-YPMHNXCESA-N
MW365.39 g/mol
LogP2.39
Rot. Bonds6

About 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide

2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 7931983) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID7931983
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H23N3O6/c1-11-5-3-4-6-13(11)18-17(22)19-16(21)10-26-15-9-12(20(23)24)7-8-14(15)25-2/h7-9,11,13H,3-6,10H2,1-2H3,(H2,18,19,21,22)/t11-,13+/m1/s1
InChIKeyIUROSJARFOGLFN-YPMHNXCESA-N
XLogP2.39
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7866088
2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7865889
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
2-(2-formyl-4-methoxyphenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8634198
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-nitrobenzoate
CID 7775213
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8561598
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11907226

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide (CID 7931983) is 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is IUROSJARFOGLFN-YPMHNXCESA-N. The full InChI is InChI=1S/C17H23N3O6/c1-11-5-3-4-6-13(11)18-17(22)19-16(21)10-26-15-9-12(20(23)24)7-8-14(15)25-2/h7-9,11,13H,3-6,10H2,1-2H3,(H2,18,19,21,22)/t11-,13+/m1/s1.
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 7931983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).