2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide

C23H24N2O2 — CID 133239925

IUPAC2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-22(27-21-6-4-5-17(2)15-21)23(26)25-20-9-7-18(8-10-20)16-19-11-13-24-14-12-19/h4-15,22H,3,16H2,1-2H3,(H,25,26)
InChIKeyBPTGPERAKORGBU-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.78
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide

2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide (PubChem CID 133239925) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
PubChem CID133239925
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-22(27-21-6-4-5-17(2)15-21)23(26)25-20-9-7-18(8-10-20)16-19-11-13-24-14-12-19/h4-15,22H,3,16H2,1-2H3,(H,25,26)
InChIKeyBPTGPERAKORGBU-UHFFFAOYSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133211166
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 99954912
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide
CID 97319745
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide (CID 133239925) is 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The InChIKey is BPTGPERAKORGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-22(27-21-6-4-5-17(2)15-21)23(26)25-20-9-7-18(8-10-20)16-19-11-13-24-14-12-19/h4-15,22H,3,16H2,1-2H3,(H,25,26).
What are the key properties of 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide has a molecular weight of 360.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 133239925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).