2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

C21H27NO3 — CID 4958565

IUPAC2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)13-24-19-11-9-18(10-12-19)22-21(23)17(5)25-20-15(3)7-6-8-16(20)4/h6-12,14,17H,13H2,1-5H3,(H,22,23)
InChIKeyZZSWPYGJGOOQQV-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.74
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (PubChem CID 4958565) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
PubChem CID4958565
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)13-24-19-11-9-18(10-12-19)22-21(23)17(5)25-20-15(3)7-6-8-16(20)4/h6-12,14,17H,13H2,1-5H3,(H,22,23)
InChIKeyZZSWPYGJGOOQQV-UHFFFAOYSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382
3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide
CID 143166385
propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (CID 4958565) is 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is Cc1cccc(C)c1OC(C)C(=O)Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is ZZSWPYGJGOOQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(2)13-24-19-11-9-18(10-12-19)22-21(23)17(5)25-20-15(3)7-6-8-16(20)4/h6-12,14,17H,13H2,1-5H3,(H,22,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 4958565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).