2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide

C21H24N2O3 — CID 43028682

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15(2)11-18(17-7-5-4-6-8-17)23-21(24)14-26-19-10-9-16(13-22)12-20(19)25-3/h4-10,12,15,18H,11,14H2,1-3H3,(H,23,24)
InChIKeyBTBRTTHFABGCML-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.85
Rot. Bonds8

About 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide

2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide (PubChem CID 43028682) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
PubChem CID43028682
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15(2)11-18(17-7-5-4-6-8-17)23-21(24)14-26-19-10-9-16(13-22)12-20(19)25-3/h4-10,12,15,18H,11,14H2,1-3H3,(H,23,24)
InChIKeyBTBRTTHFABGCML-UHFFFAOYSA-N
XLogP3.85
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 60600054
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252697
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 8511836
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-(4-cyano-2-methoxyphenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 9459191
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide (CID 43028682) is 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide is COc1cc(C#N)ccc1OCC(=O)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
The InChIKey is BTBRTTHFABGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)11-18(17-7-5-4-6-8-17)23-21(24)14-26-19-10-9-16(13-22)12-20(19)25-3/h4-10,12,15,18H,11,14H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide is sourced from PubChem (CID 43028682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).