N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide

C16H24N2O2 — CID 39375555

IUPACN-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
SMILESCc1cc(OCCNC(=O)C2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-12-11-14(7-8-15(12)17)20-10-9-18-16(19)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyABAQOQLIYSTUMK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide

N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide (PubChem CID 39375555) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
PubChem CID39375555
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
SMILESCc1cc(OCCNC(=O)C2CCCCC2)ccc1N
InChIInChI=1S/C16H24N2O2/c1-12-11-14(7-8-15(12)17)20-10-9-18-16(19)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyABAQOQLIYSTUMK-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]cyclohexanecarboxamide
CID 11681048
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 82162790

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide (CID 39375555) is N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide is Cc1cc(OCCNC(=O)C2CCCCC2)ccc1N.
What is the InChIKey of N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide?
The InChIKey is ABAQOQLIYSTUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-11-14(7-8-15(12)17)20-10-9-18-16(19)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide?
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 39375555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).