N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide

C14H19N3O4 — CID 119476242

IUPACN-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
SMILESNC1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O4/c15-10-5-7-11(8-6-10)16-14(18)9-21-13-4-2-1-3-12(13)17(19)20/h1-4,10-11H,5-9,15H2,(H,16,18)
InChIKeyKHAHTBPSJYIBLY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide

N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 119476242) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
PubChem CID119476242
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
SMILESNC1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O4/c15-10-5-7-11(8-6-10)16-14(18)9-21-13-4-2-1-3-12(13)17(19)20/h1-4,10-11H,5-9,15H2,(H,16,18)
InChIKeyKHAHTBPSJYIBLY-UHFFFAOYSA-N
XLogP1.36
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
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-piperidin-3-ylacetamide
CID 119426166
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
CID 87013578
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124780220
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
4-cyclohexyl-N'-[2-(2-nitrophenoxy)acetyl]butanehydrazide
CID 34060563
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(2-nitrophenoxy)acetamide
CID 59992189
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide (CID 119476242) is N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide is NC1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is KHAHTBPSJYIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-10-5-7-11(8-6-10)16-14(18)9-21-13-4-2-1-3-12(13)17(19)20/h1-4,10-11H,5-9,15H2,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide?
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 293.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 119476242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).