2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide

C18H21NO3 — CID 4958482

IUPAC2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)Oc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NO3/c1-12-7-5-8-13(2)17(12)22-14(3)18(20)19-15-9-6-10-16(11-15)21-4/h5-11,14H,1-4H3,(H,19,20)
InChIKeyANXGNCAVETUDFP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.72
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide

2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide (PubChem CID 4958482) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
PubChem CID4958482
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)C(C)Oc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NO3/c1-12-7-5-8-13(2)17(12)22-14(3)18(20)19-15-9-6-10-16(11-15)21-4/h5-11,14H,1-4H3,(H,19,20)
InChIKeyANXGNCAVETUDFP-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92678107
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide (CID 4958482) is 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)C(C)Oc2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide?
The InChIKey is ANXGNCAVETUDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-5-8-13(2)17(12)22-14(3)18(20)19-15-9-6-10-16(11-15)21-4/h5-11,14H,1-4H3,(H,19,20).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide?
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 3.72, 5 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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 4958482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).