2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

C20H25NO3 — CID 28958838

IUPAC2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCOc1ccccc1OCC(=O)N[C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-15(2)13-17(16-9-5-4-6-10-16)21-20(22)14-24-19-12-8-7-11-18(19)23-3/h4-12,15,17H,13-14H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyZFGWYUUTGDRGIW-KRWDZBQOSA-N
MW327.42 g/mol
LogP3.98
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 28958838) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
PubChem CID28958838
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCOc1ccccc1OCC(=O)N[C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-15(2)13-17(16-9-5-4-6-10-16)21-20(22)14-24-19-12-8-7-11-18(19)23-3/h4-12,15,17H,13-14H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyZFGWYUUTGDRGIW-KRWDZBQOSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028682
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8513496
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 112772148
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (CID 28958838) is 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is COc1ccccc1OCC(=O)N[C@@H](CC(C)C)c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is ZFGWYUUTGDRGIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(2)13-17(16-9-5-4-6-10-16)21-20(22)14-24-19-12-8-7-11-18(19)23-3/h4-12,15,17H,13-14H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 28958838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).