3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide

C17H20N2O2 — CID 8880667

IUPAC3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H20N2O2/c1-13-6-7-14(2)16(11-13)21-10-8-17(20)19-12-15-5-3-4-9-18-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyBLTBENVUTTXQNE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.78
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide

3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 8880667) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID8880667
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H20N2O2/c1-13-6-7-14(2)16(11-13)21-10-8-17(20)19-12-15-5-3-4-9-18-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyBLTBENVUTTXQNE-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
2-[4-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698055
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
5-[(2,5-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 35337267
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
2-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245210
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 8871410

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide (CID 8880667) is 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(C)c(OCCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is BLTBENVUTTXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-6-7-14(2)16(11-13)21-10-8-17(20)19-12-15-5-3-4-9-18-15/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide?
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 8880667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).