(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide

C16H25NO2 — CID 9180328

IUPAC(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO2/c1-5-15(16(18)17-11-10-12(2)3)19-14-8-6-13(4)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3,(H,17,18)/t15-/m0/s1
InChIKeyGJEBOORHISPYOU-HNNXBMFYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds7

About (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide

(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide (PubChem CID 9180328) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
PubChem CID9180328
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO2/c1-5-15(16(18)17-11-10-12(2)3)19-14-8-6-13(4)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3,(H,17,18)/t15-/m0/s1
InChIKeyGJEBOORHISPYOU-HNNXBMFYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide (CID 9180328) is (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide is CC[C@H](Oc1ccc(C)cc1)C(=O)NCCC(C)C.
What is the InChIKey of (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide?
The InChIKey is GJEBOORHISPYOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-15(16(18)17-11-10-12(2)3)19-14-8-6-13(4)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide?
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 9180328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).