(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide

C23H30N2O2 — CID 100514335

IUPAC(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-4-21(27-22-16-17(2)8-9-18(22)3)23(26)24-19-10-12-20(13-11-19)25-14-6-5-7-15-25/h8-13,16,21H,4-7,14-15H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyLHZUJJWMGUMASV-OAQYLSRUSA-N
MW366.51 g/mol
LogP5.09
Rot. Bonds6

About (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide

(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide (PubChem CID 100514335) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
PubChem CID100514335
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-4-21(27-22-16-17(2)8-9-18(22)3)23(26)24-19-10-12-20(13-11-19)25-14-6-5-7-15-25/h8-13,16,21H,4-7,14-15H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyLHZUJJWMGUMASV-OAQYLSRUSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide
CID 133203327
(2S)-2-(2,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507893
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide (CID 100514335) is (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The InChIKey is LHZUJJWMGUMASV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-21(27-22-16-17(2)8-9-18(22)3)23(26)24-19-10-12-20(13-11-19)25-14-6-5-7-15-25/h8-13,16,21H,4-7,14-15H2,1-3H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide has a molecular weight of 366.51 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 100514335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).