(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide

C22H28ClN2O3+ — CID 7160797

IUPAC(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NCCC[NH+]1CCOCC1
InChIInChI=1S/C22H27ClN2O3/c23-18-7-8-21(26)20(15-18)19(17-5-2-1-3-6-17)16-22(27)24-9-4-10-25-11-13-28-14-12-25/h1-3,5-8,15,19,26H,4,9-14,16H2,(H,24,27)/p+1/t19-/m1/s1
InChIKeyRAJZCWMYQBWRSA-LJQANCHMSA-O
MW403.93 g/mol
LogP1.99
Rot. Bonds8

About (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide

(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide (PubChem CID 7160797) has the molecular formula C22H28ClN2O3+ and a molecular weight of 403.93 g/mol. Its IUPAC name is (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
PubChem CID7160797
Molecular FormulaC22H28ClN2O3+
Molecular Weight403.93 g/mol
Exact Mass403.18
IUPAC Name(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NCCC[NH+]1CCOCC1
InChIInChI=1S/C22H27ClN2O3/c23-18-7-8-21(26)20(15-18)19(17-5-2-1-3-6-17)16-22(27)24-9-4-10-25-11-13-28-14-12-25/h1-3,5-8,15,19,26H,4,9-14,16H2,(H,24,27)/p+1/t19-/m1/s1
InChIKeyRAJZCWMYQBWRSA-LJQANCHMSA-O
XLogP1.99
TPSA63.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide 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

N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
CID 2952080
3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate
CID 4614539
2-(2,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 2634680
(2S)-2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide
CID 7160349
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7477670
1-[(3-chlorobenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8730957
1-[(2,4-dichlorophenyl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8669408
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
3-[(2-fluorophenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide
CID 4148312
(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 7476976

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide?
The IUPAC name of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide (CID 7160797) is (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide is O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NCCC[NH+]1CCOCC1.
What is the InChIKey of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide?
The InChIKey is RAJZCWMYQBWRSA-LJQANCHMSA-O. The full InChI is InChI=1S/C22H27ClN2O3/c23-18-7-8-21(26)20(15-18)19(17-5-2-1-3-6-17)16-22(27)24-9-4-10-25-11-13-28-14-12-25/h1-3,5-8,15,19,26H,4,9-14,16H2,(H,24,27)/p+1/t19-/m1/s1.
What are the key properties of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide?
(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide has a molecular weight of 403.93 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 7160797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).