2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide

C22H27NO4 — CID 55643256

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27NO4/c1-15(24)17-11-12-18(19(13-17)26-5)27-14-20(25)23-21(22(2,3)4)16-9-7-6-8-10-16/h6-13,21H,14H2,1-5H3,(H,23,25)
InChIKeyNKOVCMPCIUKLCR-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.18
Rot. Bonds7

About 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide (PubChem CID 55643256) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
PubChem CID55643256
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27NO4/c1-15(24)17-11-12-18(19(13-17)26-5)27-14-20(25)23-21(22(2,3)4)16-9-7-6-8-10-16/h6-13,21H,14H2,1-5H3,(H,23,25)
InChIKeyNKOVCMPCIUKLCR-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
CID 55659284
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8808315
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902728
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55327013
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide (CID 55643256) is 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NC(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide?
The InChIKey is NKOVCMPCIUKLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15(24)17-11-12-18(19(13-17)26-5)27-14-20(25)23-21(22(2,3)4)16-9-7-6-8-10-16/h6-13,21H,14H2,1-5H3,(H,23,25).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide has a molecular weight of 369.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 55643256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).