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

C19H23NO3 — CID 7321326

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-14(2)15-9-11-16(12-10-15)23-13-19(21)20-17-7-5-6-8-18(17)22-3/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyCWOBUKMKUWIUGV-AWEZNQCLSA-N
MW313.40 g/mol
LogP4.23
Rot. Bonds7

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

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 7321326) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID7321326
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-4-14(2)15-9-11-16(12-10-15)23-13-19(21)20-17-7-5-6-8-18(17)22-3/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyCWOBUKMKUWIUGV-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-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
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-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4959325
N-(2-methoxyphenyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24647330
3-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 893469
N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 6544251
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 7321326) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is CWOBUKMKUWIUGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-14(2)15-9-11-16(12-10-15)23-13-19(21)20-17-7-5-6-8-18(17)22-3/h5-12,14H,4,13H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-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-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7321326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).