4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide

C21H26N2O3 — CID 7922267

IUPAC4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-17-8-10-18(11-9-17)26-14-4-7-21(24)22-19-5-2-3-6-20(19)23-12-15-25-16-13-23/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,22,24)
InChIKeyVQBMXIVVZRESHA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.63
Rot. Bonds7

About 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide

4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide (PubChem CID 7922267) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
PubChem CID7922267
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-17-8-10-18(11-9-17)26-14-4-7-21(24)22-19-5-2-3-6-20(19)23-12-15-25-16-13-23/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,22,24)
InChIKeyVQBMXIVVZRESHA-UHFFFAOYSA-N
XLogP3.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
2-(4-formylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 78761860
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(4-cyanophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 16552240
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109037056

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide (CID 7922267) is 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide is Cc1ccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide?
The InChIKey is VQBMXIVVZRESHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17-8-10-18(11-9-17)26-14-4-7-21(24)22-19-5-2-3-6-20(19)23-12-15-25-16-13-23/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,22,24).
What are the key properties of 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide?
4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 7922267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).