2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide

C17H21NO3 — CID 53284498

IUPAC2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCc1ccco1
InChIInChI=1S/C17H21NO3/c1-4-15(17(19)18-11-14-6-5-9-20-14)21-16-10-12(2)7-8-13(16)3/h5-10,15H,4,11H2,1-3H3,(H,18,19)
InChIKeyOOFUWMIDOKBNCH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.37
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide

2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide (PubChem CID 53284498) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
PubChem CID53284498
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCc1ccco1
InChIInChI=1S/C17H21NO3/c1-4-15(17(19)18-11-14-6-5-9-20-14)21-16-10-12(2)7-8-13(16)3/h5-10,15H,4,11H2,1-3H3,(H,18,19)
InChIKeyOOFUWMIDOKBNCH-UHFFFAOYSA-N
XLogP3.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 92683250
(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 92647459
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 43904877
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165284
2-(2,5-dimethylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132656930
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 133240165

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide (CID 53284498) is 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide is CCC(Oc1cc(C)ccc1C)C(=O)NCc1ccco1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is OOFUWMIDOKBNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-15(17(19)18-11-14-6-5-9-20-14)21-16-10-12(2)7-8-13(16)3/h5-10,15H,4,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide?
2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 53284498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).