2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide

C23H30N2O2 — CID 133166851

IUPAC2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-4-21(27-22-10-8-9-17(2)18(22)3)23(26)24-19-11-13-20(14-12-19)25-15-6-5-7-16-25/h8-14,21H,4-7,15-16H2,1-3H3,(H,24,26)
InChIKeyGZUUOZRYDUWSBG-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.09
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide

2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide (PubChem CID 133166851) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
PubChem CID133166851
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-4-21(27-22-10-8-9-17(2)18(22)3)23(26)24-19-11-13-20(14-12-19)25-15-6-5-7-16-25/h8-14,21H,4-7,15-16H2,1-3H3,(H,24,26)
InChIKeyGZUUOZRYDUWSBG-UHFFFAOYSA-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

(2R)-2-(2,5-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 100514335
(2S)-2-(2,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507893
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
(2S)-2-(4-tert-butylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507876

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide (CID 133166851) is 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
The InChIKey is GZUUOZRYDUWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-21(27-22-10-8-9-17(2)18(22)3)23(26)24-19-11-13-20(14-12-19)25-15-6-5-7-16-25/h8-14,21H,4-7,15-16H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide?
2-(2,3-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 2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 133166851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).