2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide

C16H18N2O2 — CID 46771486

IUPAC2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccnc1
InChIInChI=1S/C16H18N2O2/c1-3-14(20-15-9-5-4-7-12(15)2)16(19)18-13-8-6-10-17-11-13/h4-11,14H,3H2,1-2H3,(H,18,19)
InChIKeyOFUJBSGLKHPOBN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds5

About 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide

2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide (PubChem CID 46771486) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
PubChem CID46771486
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccnc1
InChIInChI=1S/C16H18N2O2/c1-3-14(20-15-9-5-4-7-12(15)2)16(19)18-13-8-6-10-17-11-13/h4-11,14H,3H2,1-2H3,(H,18,19)
InChIKeyOFUJBSGLKHPOBN-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 2977750
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
(2R)-2-naphthalen-2-yloxy-N-pyridin-3-ylbutanamide
CID 92679830
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 99950023
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 97319750
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 94016432
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
2-(2,3-dimethylphenoxy)-N-pyridin-3-ylpropanamide
CID 43875980

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide (CID 46771486) is 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide is CCC(Oc1ccccc1C)C(=O)Nc1cccnc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide?
The InChIKey is OFUJBSGLKHPOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-14(20-15-9-5-4-7-12(15)2)16(19)18-13-8-6-10-17-11-13/h4-11,14H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide?
2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide has a molecular weight of 270.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 46771486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).