N-(2-phenoxyethyl)cyclohexanecarboxamide

C15H21NO2 — CID 2298971

IUPACN-(2-phenoxyethyl)cyclohexanecarboxamide
SMILESO=C(NCCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21NO2/c17-15(13-7-3-1-4-8-13)16-11-12-18-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17)
InChIKeyHMHKCGHCAYDCII-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds5

About N-(2-phenoxyethyl)cyclohexanecarboxamide

N-(2-phenoxyethyl)cyclohexanecarboxamide (PubChem CID 2298971) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-phenoxyethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)cyclohexanecarboxamide
PubChem CID2298971
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-phenoxyethyl)cyclohexanecarboxamide
SMILESO=C(NCCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21NO2/c17-15(13-7-3-1-4-8-13)16-11-12-18-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17)
InChIKeyHMHKCGHCAYDCII-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 69204145
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-phenoxyethyl)cyclohexanecarboxamide (CID 2298971) is N-(2-phenoxyethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-phenoxyethyl)cyclohexanecarboxamide is O=C(NCCOc1ccccc1)C1CCCCC1.
What is the InChIKey of N-(2-phenoxyethyl)cyclohexanecarboxamide?
The InChIKey is HMHKCGHCAYDCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(13-7-3-1-4-8-13)16-11-12-18-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17).
What are the key properties of N-(2-phenoxyethyl)cyclohexanecarboxamide?
N-(2-phenoxyethyl)cyclohexanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)cyclohexanecarboxamide is sourced from PubChem (CID 2298971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).