2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide

C17H28N2O2 — CID 43276703

IUPAC2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C)cc(CNCC)cc1C
InChIInChI=1S/C17H28N2O2/c1-6-8-19-17(20)14(5)21-16-12(3)9-15(10-13(16)4)11-18-7-2/h9-10,14,18H,6-8,11H2,1-5H3,(H,19,20)
InChIKeyBUWDKLZLVFUAND-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.71
Rot. Bonds8

About 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide

2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide (PubChem CID 43276703) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
PubChem CID43276703
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C)cc(CNCC)cc1C
InChIInChI=1S/C17H28N2O2/c1-6-8-19-17(20)14(5)21-16-12(3)9-15(10-13(16)4)11-18-7-2/h9-10,14,18H,6-8,11H2,1-5H3,(H,19,20)
InChIKeyBUWDKLZLVFUAND-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
CID 43122441
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43276640
ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
CID 64668112
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
2-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63061683
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
CID 82917132
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890682
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
N-butyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471896

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide (CID 43276703) is 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1c(C)cc(CNCC)cc1C.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide?
The InChIKey is BUWDKLZLVFUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-8-19-17(20)14(5)21-16-12(3)9-15(10-13(16)4)11-18-7-2/h9-10,14,18H,6-8,11H2,1-5H3,(H,19,20).
What are the key properties of 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide?
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide is sourced from PubChem (CID 43276703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).