(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide

C16H25NO2 — CID 92683628

IUPAC(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
SMILESCCCCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-5-7-10-17-16(18)15(6-2)19-14-9-8-12(3)13(4)11-14/h8-9,11,15H,5-7,10H2,1-4H3,(H,17,18)/t15-/m0/s1
InChIKeyWVQGQYUHRFRXAP-HNNXBMFYSA-N
MW263.38 g/mol
LogP3.38
Rot. Bonds7

About (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide

(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 92683628) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
PubChem CID92683628
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
SMILESCCCCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-5-7-10-17-16(18)15(6-2)19-14-9-8-12(3)13(4)11-14/h8-9,11,15H,5-7,10H2,1-4H3,(H,17,18)/t15-/m0/s1
InChIKeyWVQGQYUHRFRXAP-HNNXBMFYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.38
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

(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569042
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 43907479
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
CID 43916472
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide (CID 92683628) is (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide is CCCCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1.
What is the InChIKey of (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is WVQGQYUHRFRXAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-7-10-17-16(18)15(6-2)19-14-9-8-12(3)13(4)11-14/h8-9,11,15H,5-7,10H2,1-4H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide?
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 92683628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).