N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide

C18H27NO3 — CID 113100479

IUPACN-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CCOCC2)c1
InChIInChI=1S/C18H27NO3/c1-18(2,3)15-5-4-6-16(13-15)22-12-9-19-17(20)14-7-10-21-11-8-14/h4-6,13-14H,7-12H2,1-3H3,(H,19,20)
InChIKeyGYYXCFVKJZBIFU-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide

N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide (PubChem CID 113100479) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
PubChem CID113100479
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CCOCC2)c1
InChIInChI=1S/C18H27NO3/c1-18(2,3)15-5-4-6-16(13-15)22-12-9-19-17(20)14-7-10-21-11-8-14/h4-6,13-14H,7-12H2,1-3H3,(H,19,20)
InChIKeyGYYXCFVKJZBIFU-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.91
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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Related Compounds

N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
CID 113100261
2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976904
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide
CID 62907038
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
N-[2-[[ethylamino-[2-[3-(trifluoromethyl)phenoxy]ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927018
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide (CID 113100479) is N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide is CC(C)(C)c1cccc(OCCNC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide?
The InChIKey is GYYXCFVKJZBIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)15-5-4-6-16(13-15)22-12-9-19-17(20)14-7-10-21-11-8-14/h4-6,13-14H,7-12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide?
N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113100479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).