N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide

C16H23NO3 — CID 2975398

IUPACN-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide
SMILESCOc1ccccc1OCCNC(=O)C1CCCCC1
InChIInChI=1S/C16H23NO3/c1-19-14-9-5-6-10-15(14)20-12-11-17-16(18)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,17,18)
InChIKeyJNVFRPPSOVJQMX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide

N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide (PubChem CID 2975398) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide
PubChem CID2975398
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide
SMILESCOc1ccccc1OCCNC(=O)C1CCCCC1
InChIInChI=1S/C16H23NO3/c1-19-14-9-5-6-10-15(14)20-12-11-17-16(18)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,17,18)
InChIKeyJNVFRPPSOVJQMX-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide (CID 2975398) is N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide is COc1ccccc1OCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide?
The InChIKey is JNVFRPPSOVJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-9-5-6-10-15(14)20-12-11-17-16(18)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide?
N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2975398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).