N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide

C19H29NO2 — CID 113100423

IUPACN-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H29NO2/c1-19(2,3)16-10-7-11-17(14-16)22-13-12-20-18(21)15-8-5-4-6-9-15/h7,10-11,14-15H,4-6,8-9,12-13H2,1-3H3,(H,20,21)
InChIKeyAINKOLTWCPRICD-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide

N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide (PubChem CID 113100423) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
PubChem CID113100423
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H29NO2/c1-19(2,3)16-10-7-11-17(14-16)22-13-12-20-18(21)15-8-5-4-6-9-15/h7,10-11,14-15H,4-6,8-9,12-13H2,1-3H3,(H,20,21)
InChIKeyAINKOLTWCPRICD-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.06
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-tert-butylphenoxy)ethyl]oxane-4-carboxamide
CID 113100479
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976904
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
3-[2-[[(2R)-1-methylazepane-2-carbonyl]amino]ethoxy]benzoic acid
CID 124755901
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide (CID 113100423) is N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide is CC(C)(C)c1cccc(OCCNC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide?
The InChIKey is AINKOLTWCPRICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-19(2,3)16-10-7-11-17(14-16)22-13-12-20-18(21)15-8-5-4-6-9-15/h7,10-11,14-15H,4-6,8-9,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide?
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113100423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).