N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide

C21H27NO2 — CID 133262161

IUPACN-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-14-6-8-19(17(4)10-14)12-21(23)22-18(5)13-24-20-9-7-15(2)16(3)11-20/h6-11,18H,12-13H2,1-5H3,(H,22,23)
InChIKeyMTMINECQRUMSSC-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.05
Rot. Bonds6

About N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide

N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133262161) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133262161
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-14-6-8-19(17(4)10-14)12-21(23)22-18(5)13-24-20-9-7-15(2)16(3)11-20/h6-11,18H,12-13H2,1-5H3,(H,22,23)
InChIKeyMTMINECQRUMSSC-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509
1-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(2,5-dimethylphenyl)thiourea
CID 100752115
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 133210666
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 100692631
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 133163121
2-(2,4-dimethylphenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133202118
1-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(3,4-dimethylphenyl)thiourea
CID 100752144

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide (CID 133262161) is N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NC(C)COc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is MTMINECQRUMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14-6-8-19(17(4)10-14)12-21(23)22-18(5)13-24-20-9-7-15(2)16(3)11-20/h6-11,18H,12-13H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide?
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133262161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).