2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

C22H26N3O3+ — CID 9144508

IUPAC2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C22H25N3O3/c1-17-6-8-18(9-7-17)20(15-25-10-12-27-13-11-25)24-22(26)16-28-21-5-3-2-4-19(21)14-23/h2-9,20H,10-13,15-16H2,1H3,(H,24,26)/p+1/t20-/m0/s1
InChIKeyKJXNGJCUTWJJQI-FQEVSTJZSA-O
MW380.47 g/mol
LogP1.02
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (PubChem CID 9144508) has the molecular formula C22H26N3O3+ and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
PubChem CID9144508
Molecular FormulaC22H26N3O3+
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C22H25N3O3/c1-17-6-8-18(9-7-17)20(15-25-10-12-27-13-11-25)24-22(26)16-28-21-5-3-2-4-19(21)14-23/h2-9,20H,10-13,15-16H2,1H3,(H,24,26)/p+1/t20-/m0/s1
InChIKeyKJXNGJCUTWJJQI-FQEVSTJZSA-O
XLogP1.02
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9144552
2-(2-cyanophenoxy)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148844
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
N-[2-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9144588
2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144432

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (CID 9144508) is 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2ccccc2C#N)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The InChIKey is KJXNGJCUTWJJQI-FQEVSTJZSA-O. The full InChI is InChI=1S/C22H25N3O3/c1-17-6-8-18(9-7-17)20(15-25-10-12-27-13-11-25)24-22(26)16-28-21-5-3-2-4-19(21)14-23/h2-9,20H,10-13,15-16H2,1H3,(H,24,26)/p+1/t20-/m0/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is sourced from PubChem (CID 9144508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).