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

C19H23NO3 — CID 922510

IUPAC2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-14(2)17-7-5-6-8-18(17)23-13-19(21)20-15-9-11-16(22-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeySNAFNWYSFKUEIO-AWEZNQCLSA-N
MW313.40 g/mol
LogP4.23
Rot. Bonds7

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

2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 922510) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID922510
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-14(2)17-7-5-6-8-18(17)23-13-19(21)20-15-9-11-16(22-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeySNAFNWYSFKUEIO-AWEZNQCLSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-fluorophenyl)acetamide
CID 2950014
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-(4-prop-2-enoxyphenyl)acetamide
CID 4952443
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1015338
2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide (CID 922510) is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide is CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is SNAFNWYSFKUEIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-14(2)17-7-5-6-8-18(17)23-13-19(21)20-15-9-11-16(22-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide?
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 922510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).