2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide

C25H27NO2 — CID 39939589

IUPAC2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H27NO2/c1-19-13-14-24(20(2)17-19)28-18-25(27)26-16-15-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,23H,15-16,18H2,1-2H3,(H,26,27)
InChIKeySKYOBMOJLACQAR-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.02
Rot. Bonds8

About 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide

2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide (PubChem CID 39939589) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
PubChem CID39939589
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H27NO2/c1-19-13-14-24(20(2)17-19)28-18-25(27)26-16-15-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,23H,15-16,18H2,1-2H3,(H,26,27)
InChIKeySKYOBMOJLACQAR-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 7695606
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
CID 4119313
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
2-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241694
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide (CID 39939589) is 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide is Cc1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is SKYOBMOJLACQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19-13-14-24(20(2)17-19)28-18-25(27)26-16-15-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,23H,15-16,18H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 39939589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).