(2R)-N-methyl-2-(4-methylphenoxy)butanamide

C12H17NO2 — CID 40742854

IUPAC(2R)-N-methyl-2-(4-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)cc1)C(=O)NC
InChIInChI=1S/C12H17NO2/c1-4-11(12(14)13-3)15-10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyKVSZVBQHDYQCAD-LLVKDONJSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds4

About (2R)-N-methyl-2-(4-methylphenoxy)butanamide

(2R)-N-methyl-2-(4-methylphenoxy)butanamide (PubChem CID 40742854) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-N-methyl-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(4-methylphenoxy)butanamide
PubChem CID40742854
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-N-methyl-2-(4-methylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)cc1)C(=O)NC
InChIInChI=1S/C12H17NO2/c1-4-11(12(14)13-3)15-10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeyKVSZVBQHDYQCAD-LLVKDONJSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide
CID 69040097
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
2-(4-methylphenoxy)butanamide
CID 4980758
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
2-(4-methylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 4949931
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
CID 9172678
2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(4-methylphenoxy)butanamide?
The IUPAC name of (2R)-N-methyl-2-(4-methylphenoxy)butanamide (CID 40742854) is (2R)-N-methyl-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-methyl-2-(4-methylphenoxy)butanamide?
The canonical SMILES for (2R)-N-methyl-2-(4-methylphenoxy)butanamide is CC[C@@H](Oc1ccc(C)cc1)C(=O)NC.
What is the InChIKey of (2R)-N-methyl-2-(4-methylphenoxy)butanamide?
The InChIKey is KVSZVBQHDYQCAD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-11(12(14)13-3)15-10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-N-methyl-2-(4-methylphenoxy)butanamide?
(2R)-N-methyl-2-(4-methylphenoxy)butanamide has a molecular weight of 207.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 40742854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).