N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide

C17H25NO3 — CID 113100261

IUPACN-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
SMILESCC(C)c1cccc(OCCNC(=O)C2CCOCC2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)15-4-3-5-16(12-15)21-11-8-18-17(19)14-6-9-20-10-7-14/h3-5,12-14H,6-11H2,1-2H3,(H,18,19)
InChIKeyYYQODRCCKPSGEH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide

N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide (PubChem CID 113100261) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
PubChem CID113100261
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
SMILESCC(C)c1cccc(OCCNC(=O)C2CCOCC2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)15-4-3-5-16(12-15)21-11-8-18-17(19)14-6-9-20-10-7-14/h3-5,12-14H,6-11H2,1-2H3,(H,18,19)
InChIKeyYYQODRCCKPSGEH-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.73
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]oxane-4-carboxamide
CID 113100479
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972433
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
CID 71993929
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112972396
N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 55718257
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113100241
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide (CID 113100261) is N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide is CC(C)c1cccc(OCCNC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide?
The InChIKey is YYQODRCCKPSGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)15-4-3-5-16(12-15)21-11-8-18-17(19)14-6-9-20-10-7-14/h3-5,12-14H,6-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide?
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113100261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).