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

C22H29NO2 — CID 918611

IUPAC2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2[C@H](C)CC)cc1
InChIInChI=1S/C22H29NO2/c1-5-16(3)18-11-13-19(14-12-18)25-15-22(24)23-21-10-8-7-9-20(21)17(4)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,23,24)/t16-,17-/m1/s1
InChIKeyAKVNYOCCIHAZPA-IAGOWNOFSA-N
MW339.48 g/mol
LogP5.73
Rot. Bonds8

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

2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide (PubChem CID 918611) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
PubChem CID918611
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2[C@H](C)CC)cc1
InChIInChI=1S/C22H29NO2/c1-5-16(3)18-11-13-19(14-12-18)25-15-22(24)23-21-10-8-7-9-20(21)17(4)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,23,24)/t16-,17-/m1/s1
InChIKeyAKVNYOCCIHAZPA-IAGOWNOFSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 959855
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 7321326
2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4959325
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
3-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 893469
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556213
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide (CID 918611) is 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide is CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2[C@H](C)CC)cc1.
What is the InChIKey of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The InChIKey is AKVNYOCCIHAZPA-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-16(3)18-11-13-19(14-12-18)25-15-22(24)23-21-10-8-7-9-20(21)17(4)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,23,24)/t16-,17-/m1/s1.
What are the key properties of 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 918611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).