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

C19H23NO2 — CID 833563

IUPAC2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-4-15(3)17-7-5-6-8-18(17)22-13-19(21)20-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyOALBKACWVKKCEZ-HNNXBMFYSA-N
MW297.40 g/mol
LogP4.53
Rot. Bonds6

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

2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 833563) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID833563
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H23NO2/c1-4-15(3)17-7-5-6-8-18(17)22-13-19(21)20-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyOALBKACWVKKCEZ-HNNXBMFYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952443
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695
2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-5-methylbenzoic acid
CID 2914637
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide (CID 833563) is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide is CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is OALBKACWVKKCEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-15(3)17-7-5-6-8-18(17)22-13-19(21)20-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 4.53, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 833563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).