N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide

C17H24N2O5 — CID 51222276

IUPACN-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCCCOC1CCCCC1
InChIInChI=1S/C17H24N2O5/c20-17(13-24-16-10-5-4-9-15(16)19(21)22)18-11-6-12-23-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,18,20)
InChIKeyKFKVODUBEXAHFN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.83
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide

N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 51222276) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
PubChem CID51222276
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCCCOC1CCCCC1
InChIInChI=1S/C17H24N2O5/c20-17(13-24-16-10-5-4-9-15(16)19(21)22)18-11-6-12-23-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,18,20)
InChIKeyKFKVODUBEXAHFN-UHFFFAOYSA-N
XLogP2.83
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
N-[2-(cycloheptylamino)ethyl]-3-(2-nitrophenoxy)propanamide
CID 119620500
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
N-(4-hydroxypentyl)-2-(2-nitrophenoxy)acetamide
CID 107299515
3-cyclohexyl-N-[2-[[2-(2-nitrophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083459
N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 4823165
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
CID 34060563
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 25162858
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide (CID 51222276) is N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is KFKVODUBEXAHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-17(13-24-16-10-5-4-9-15(16)19(21)22)18-11-6-12-23-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,18,20).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide?
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 51222276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).