(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide

C17H20N2O2 — CID 97319745

IUPAC(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)Nc1cnccc1C
InChIInChI=1S/C17H20N2O2/c1-4-16(21-14-7-5-6-12(2)10-14)17(20)19-15-11-18-9-8-13(15)3/h5-11,16H,4H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyVSVKTWVGVDVAIE-INIZCTEOSA-N
MW284.36 g/mol
LogP3.49
Rot. Bonds5

About (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide

(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide (PubChem CID 97319745) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide
PubChem CID97319745
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)Nc1cnccc1C
InChIInChI=1S/C17H20N2O2/c1-4-16(21-14-7-5-6-12(2)10-14)17(20)19-15-11-18-9-8-13(15)3/h5-11,16H,4H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyVSVKTWVGVDVAIE-INIZCTEOSA-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

2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133239925
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide (CID 97319745) is (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cnccc1C.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide?
The InChIKey is VSVKTWVGVDVAIE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-16(21-14-7-5-6-12(2)10-14)17(20)19-15-11-18-9-8-13(15)3/h5-11,16H,4H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide?
(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide 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 (2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide is sourced from PubChem (CID 97319745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).