2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide

C20H23NO3 — CID 4958570

IUPAC2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C20H23NO3/c1-5-13-23-18-11-9-17(10-12-18)21-20(22)16(4)24-19-14(2)7-6-8-15(19)3/h5-12,16H,1,13H2,2-4H3,(H,21,22)
InChIKeyBFDXENPYIDVUSS-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.27
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide

2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 4958570) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
PubChem CID4958570
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C20H23NO3/c1-5-13-23-18-11-9-17(10-12-18)21-20(22)16(4)24-19-14(2)7-6-8-15(19)3/h5-12,16H,1,13H2,2-4H3,(H,21,22)
InChIKeyBFDXENPYIDVUSS-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 9234546
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
2-amino-3-methyl-N-(4-prop-2-enoxyphenyl)butanamide
CID 112501590
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 40865849
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (CID 4958570) is 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is BFDXENPYIDVUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-13-23-18-11-9-17(10-12-18)21-20(22)16(4)24-19-14(2)7-6-8-15(19)3/h5-12,16H,1,13H2,2-4H3,(H,21,22).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 4.27, 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-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 4958570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).