N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide

C18H21NO3 — CID 7611072

IUPACN-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-3-14(2)19-18(20)13-21-15-9-11-17(12-10-15)22-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyGWKGIXFZEFKEGJ-CQSZACIVSA-N
MW299.37 g/mol
LogP3.77
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide

N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide (PubChem CID 7611072) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
PubChem CID7611072
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-3-14(2)19-18(20)13-21-15-9-11-17(12-10-15)22-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyGWKGIXFZEFKEGJ-CQSZACIVSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
CID 2334236
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylphenoxy)acetamide
CID 7868582
N-(4-bromobutan-2-yl)-2-phenoxyacetamide
CID 83180352
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
CID 46433016
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide (CID 7611072) is N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide is CC[C@@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is GWKGIXFZEFKEGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-14(2)19-18(20)13-21-15-9-11-17(12-10-15)22-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide?
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 7611072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).