2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

C20H25NO2 — CID 25400217

IUPAC2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-5-15(3)17-8-6-7-9-19(17)23-13-20(22)21-18-11-10-14(2)12-16(18)4/h6-12,15H,5,13H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyRTBUKEWBKDBJKT-HNNXBMFYSA-N
MW311.43 g/mol
LogP4.83
Rot. Bonds6

About 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 25400217) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
PubChem CID25400217
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-5-15(3)17-8-6-7-9-19(17)23-13-20(22)21-18-11-10-14(2)12-16(18)4/h6-12,15H,5,13H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyRTBUKEWBKDBJKT-HNNXBMFYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoic acid
CID 839384
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-5-methylbenzoic acid
CID 2914637
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoate
CID 6949018
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 4937449
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 42990078
3-[[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 892447
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796234
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 25400217) is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is RTBUKEWBKDBJKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-15(3)17-8-6-7-9-19(17)23-13-20(22)21-18-11-10-14(2)12-16(18)4/h6-12,15H,5,13H2,1-4H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 25400217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).