N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide

C22H27ClN2O4 — CID 41270735

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C22H27ClN2O4/c1-2-28-19-9-3-4-10-20(19)29-14-6-11-21(26)24-18-8-5-7-17(23)22(18)25-12-15-27-16-13-25/h3-5,7-10H,2,6,11-16H2,1H3,(H,24,26)
InChIKeyWBCRFUBLPXFYOO-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.37
Rot. Bonds9

About N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide

N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide (PubChem CID 41270735) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide
PubChem CID41270735
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C22H27ClN2O4/c1-2-28-19-9-3-4-10-20(19)29-14-6-11-21(26)24-18-8-5-7-17(23)22(18)25-12-15-27-16-13-25/h3-5,7-10H,2,6,11-16H2,1H3,(H,24,26)
InChIKeyWBCRFUBLPXFYOO-UHFFFAOYSA-N
XLogP4.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
CID 55507135
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
2-(4-chloro-3-methylphenoxy)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3894786
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 41270500
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide (CID 41270735) is N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is WBCRFUBLPXFYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-2-28-19-9-3-4-10-20(19)29-14-6-11-21(26)24-18-8-5-7-17(23)22(18)25-12-15-27-16-13-25/h3-5,7-10H,2,6,11-16H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 418.92 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 41270735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).