2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide

C17H27NO2 — CID 113100320

IUPAC2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-14(6-2)17(19)18-11-12-20-16-9-7-15(8-10-16)13(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyLCHMYLQFHPXLPE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds8

About 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide

2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide (PubChem CID 113100320) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
PubChem CID113100320
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-14(6-2)17(19)18-11-12-20-16-9-7-15(8-10-16)13(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyLCHMYLQFHPXLPE-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.74
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

2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328
N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
CID 60571529
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide (CID 113100320) is 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide is CCC(CC)C(=O)NCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide?
The InChIKey is LCHMYLQFHPXLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-14(6-2)17(19)18-11-12-20-16-9-7-15(8-10-16)13(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide?
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide is sourced from PubChem (CID 113100320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).