N-butyl-2-(4-propan-2-ylphenoxy)acetamide

C15H23NO2 — CID 17142930

IUPACN-butyl-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-5-10-16-15(17)11-18-14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyFGEVWEIHZOUDLS-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds7

About N-butyl-2-(4-propan-2-ylphenoxy)acetamide

N-butyl-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 17142930) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-butyl-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID17142930
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-butyl-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-5-10-16-15(17)11-18-14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyFGEVWEIHZOUDLS-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
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-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-butyl-2-(4-propan-2-ylphenoxy)acetamide (CID 17142930) is N-butyl-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(4-propan-2-ylphenoxy)acetamide is CCCCNC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N-butyl-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is FGEVWEIHZOUDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-10-16-15(17)11-18-14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-butyl-2-(4-propan-2-ylphenoxy)acetamide?
N-butyl-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 249.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17142930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).