N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide

C18H27NO2 — CID 94868061

IUPACN-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-8-10-16(11-9-15)21-13-12-19-17(20)14-6-4-5-7-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyKZBFMSWOUNCTOD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide

N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide (PubChem CID 94868061) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
PubChem CID94868061
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-8-10-16(11-9-15)21-13-12-19-17(20)14-6-4-5-7-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyKZBFMSWOUNCTOD-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.67
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-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974527
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(3S)-N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125084362
N-[2-(4-tert-butylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133252137
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide (CID 94868061) is N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide is CC(C)(C)c1ccc(OCCNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide?
The InChIKey is KZBFMSWOUNCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)15-8-10-16(11-9-15)21-13-12-19-17(20)14-6-4-5-7-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide?
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 94868061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).