2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide

C16H18N2O2 — CID 2971115

IUPAC2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccncc2)cc1C
InChIInChI=1S/C16H18N2O2/c1-11-4-5-15(10-12(11)2)20-13(3)16(19)18-14-6-8-17-9-7-14/h4-10,13H,1-3H3,(H,17,18,19)
InChIKeyDQDQNZVFQQHOIL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.10
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide

2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide (PubChem CID 2971115) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide
PubChem CID2971115
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccncc2)cc1C
InChIInChI=1S/C16H18N2O2/c1-11-4-5-15(10-12(11)2)20-13(3)16(19)18-14-6-8-17-9-7-14/h4-10,13H,1-3H3,(H,17,18,19)
InChIKeyDQDQNZVFQQHOIL-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide (CID 2971115) is 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide is Cc1ccc(OC(C)C(=O)Nc2ccncc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide?
The InChIKey is DQDQNZVFQQHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-5-15(10-12(11)2)20-13(3)16(19)18-14-6-8-17-9-7-14/h4-10,13H,1-3H3,(H,17,18,19).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide?
2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 2971115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).