N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide

C15H20N2O4 — CID 5046881

IUPACN-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCC(O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C15H20N2O4/c18-14(11-6-8-13(9-7-11)17(20)21)10-16-15(19)12-4-2-1-3-5-12/h6-9,12,14,18H,1-5,10H2,(H,16,19)
InChIKeyITBMODOIDNVECA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.32
Rot. Bonds5

About N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide

N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide (PubChem CID 5046881) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide
PubChem CID5046881
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCC(O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C15H20N2O4/c18-14(11-6-8-13(9-7-11)17(20)21)10-16-15(19)12-4-2-1-3-5-12/h6-9,12,14,18H,1-5,10H2,(H,16,19)
InChIKeyITBMODOIDNVECA-UHFFFAOYSA-N
XLogP2.32
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide (CID 5046881) is N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide is O=C(NCC(O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1.
What is the InChIKey of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is ITBMODOIDNVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(11-6-8-13(9-7-11)17(20)21)10-16-15(19)12-4-2-1-3-5-12/h6-9,12,14,18H,1-5,10H2,(H,16,19).
What are the key properties of N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide?
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 292.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-nitrophenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 5046881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).