N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H29NO2 — CID 959796

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H29NO2/c1-6-17(5)19-9-7-8-10-20(19)23-22(24)14-25-21-13-16(4)11-12-18(21)15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyFITMRSLNJOQFNG-QGZVFWFLSA-N
MW339.48 g/mol
LogP5.65
Rot. Bonds7

About N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 959796) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID959796
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H29NO2/c1-6-17(5)19-9-7-8-10-20(19)23-22(24)14-25-21-13-16(4)11-12-18(21)15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H,23,24)/t17-/m1/s1
InChIKeyFITMRSLNJOQFNG-QGZVFWFLSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 18272936
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267
2-(2-chloro-5-methylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7642804
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8916886
N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 100559135
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2944268

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 959796) is N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CC[C@@H](C)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is FITMRSLNJOQFNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-17(5)19-9-7-8-10-20(19)23-22(24)14-25-21-13-16(4)11-12-18(21)15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H,23,24)/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 339.48 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 959796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).