N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide

C17H20N2O2 — CID 4523660

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C17H20N2O2/c1-4-15(21-14-8-6-5-7-9-14)17(20)19-16-11-12(2)10-13(3)18-16/h5-11,15H,4H2,1-3H3,(H,18,19,20)
InChIKeyXISXWPMOWZGFBX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.49
Rot. Bonds5

About N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide

N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide (PubChem CID 4523660) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide
PubChem CID4523660
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C17H20N2O2/c1-4-15(21-14-8-6-5-7-9-14)17(20)19-16-11-12(2)10-13(3)18-16/h5-11,15H,4H2,1-3H3,(H,18,19,20)
InChIKeyXISXWPMOWZGFBX-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
CID 873676
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 17073316
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide (CID 4523660) is N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide?
The InChIKey is XISXWPMOWZGFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-15(21-14-8-6-5-7-9-14)17(20)19-16-11-12(2)10-13(3)18-16/h5-11,15H,4H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide?
N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide has a molecular weight of 284.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-phenoxybutanamide is sourced from PubChem (CID 4523660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).