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

C14H18N2O5 — CID 43389141

IUPACN-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC(O)CC1
InChIInChI=1S/C14H18N2O5/c17-12-5-1-10(2-6-12)15-14(18)9-21-13-7-3-11(4-8-13)16(19)20/h3-4,7-8,10,12,17H,1-2,5-6,9H2,(H,15,18)
InChIKeyCXYOPXBOTBQOFR-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.39
Rot. Bonds5

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

N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 43389141) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
PubChem CID43389141
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC(O)CC1
InChIInChI=1S/C14H18N2O5/c17-12-5-1-10(2-6-12)15-14(18)9-21-13-7-3-11(4-8-13)16(19)20/h3-4,7-8,10,12,17H,1-2,5-6,9H2,(H,15,18)
InChIKeyCXYOPXBOTBQOFR-UHFFFAOYSA-N
XLogP1.39
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.39
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

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenoxy)acetamide
CID 7079987
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
CID 115880765
N-cyclopropyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 27015551
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide (CID 43389141) is N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is CXYOPXBOTBQOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-12-5-1-10(2-6-12)15-14(18)9-21-13-7-3-11(4-8-13)16(19)20/h3-4,7-8,10,12,17H,1-2,5-6,9H2,(H,15,18).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide?
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 43389141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).