2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide

C22H28N2O3 — CID 133203327

IUPAC2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-20(27-21-15-16(2)5-6-17(21)3)22(25)23-18-7-9-19(10-8-18)24-11-13-26-14-12-24/h5-10,15,20H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyITUHZLVDSOZAOJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.94
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide

2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide (PubChem CID 133203327) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide
PubChem CID133203327
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-20(27-21-15-16(2)5-6-17(21)3)22(25)23-18-7-9-19(10-8-18)24-11-13-26-14-12-24/h5-10,15,20H,4,11-14H2,1-3H3,(H,23,25)
InChIKeyITUHZLVDSOZAOJ-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99133351
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
(2R)-2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712980
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131284

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide (CID 133203327) is 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide is CCC(Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide?
The InChIKey is ITUHZLVDSOZAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-20(27-21-15-16(2)5-6-17(21)3)22(25)23-18-7-9-19(10-8-18)24-11-13-26-14-12-24/h5-10,15,20H,4,11-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide?
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide has a molecular weight of 368.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 133203327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).