N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide

C17H25NO2 — CID 2994102

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-13-10-14(2)12-16(11-13)20-9-8-18-17(19)15-6-4-3-5-7-15/h10-12,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyJVABBQDQCRPRQP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide (PubChem CID 2994102) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
PubChem CID2994102
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-13-10-14(2)12-16(11-13)20-9-8-18-17(19)15-6-4-3-5-7-15/h10-12,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyJVABBQDQCRPRQP-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
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-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51125128
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888801
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide (CID 2994102) is N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide is Cc1cc(C)cc(OCCNC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide?
The InChIKey is JVABBQDQCRPRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-10-14(2)12-16(11-13)20-9-8-18-17(19)15-6-4-3-5-7-15/h10-12,15H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2994102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).