2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide

C16H25NO2 — CID 53284304

IUPAC2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCC(C)C
InChIInChI=1S/C16H25NO2/c1-6-14(16(18)17-10-11(2)3)19-15-9-12(4)7-8-13(15)5/h7-9,11,14H,6,10H2,1-5H3,(H,17,18)
InChIKeyYVMVNCUAQROVBG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide

2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide (PubChem CID 53284304) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
PubChem CID53284304
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCC(C)C
InChIInChI=1S/C16H25NO2/c1-6-14(16(18)17-10-11(2)3)19-15-9-12(4)7-8-13(15)5/h7-9,11,14H,6,10H2,1-5H3,(H,17,18)
InChIKeyYVMVNCUAQROVBG-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 133240165
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 53284498
(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
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
CID 43916329
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide (CID 53284304) is 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide is CCC(Oc1cc(C)ccc1C)C(=O)NCC(C)C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
The InChIKey is YVMVNCUAQROVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-14(16(18)17-10-11(2)3)19-15-9-12(4)7-8-13(15)5/h7-9,11,14H,6,10H2,1-5H3,(H,17,18).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 53284304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).