2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide

C26H29NO4 — CID 7695606

IUPAC2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO4/c1-19-16-23(29-2)26(24(17-19)30-3)31-18-25(28)27-15-14-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,22H,14-15,18H2,1-3H3,(H,27,28)
InChIKeyPIQZKSWEPKKNOJ-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.73
Rot. Bonds10

About 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide

2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide (PubChem CID 7695606) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
PubChem CID7695606
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO4/c1-19-16-23(29-2)26(24(17-19)30-3)31-18-25(28)27-15-14-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,22H,14-15,18H2,1-3H3,(H,27,28)
InChIKeyPIQZKSWEPKKNOJ-UHFFFAOYSA-N
XLogP4.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 39939589
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695561
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 103876701
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide (CID 7695606) is 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide is COc1cc(C)cc(OC)c1OCC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is PIQZKSWEPKKNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-19-16-23(29-2)26(24(17-19)30-3)31-18-25(28)27-15-14-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,22H,14-15,18H2,1-3H3,(H,27,28).
What are the key properties of 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 419.52 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 7695606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).