N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide

C14H21NO2 — CID 94223613

IUPACN-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)12(4)15-14(16)9-17-13-8-6-5-7-11(13)3/h5-8,10,12H,9H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyVJRRHRWPTGFNER-LBPRGKRZSA-N
MW235.33 g/mol
LogP2.53
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide

N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 94223613) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
PubChem CID94223613
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)12(4)15-14(16)9-17-13-8-6-5-7-11(13)3/h5-8,10,12H,9H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyVJRRHRWPTGFNER-LBPRGKRZSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide
CID 51673879
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide (CID 94223613) is N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N[C@@H](C)C(C)C.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is VJRRHRWPTGFNER-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12(4)15-14(16)9-17-13-8-6-5-7-11(13)3/h5-8,10,12H,9H2,1-4H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide?
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 94223613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).