2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide

C21H25ClN2O3 — CID 25014698

IUPAC2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O3/c22-18-4-2-17(3-5-18)16-21(25)23-19-6-8-20(9-7-19)27-13-1-10-24-11-14-26-15-12-24/h2-9H,1,10-16H2,(H,23,25)
InChIKeyVCQMUPWNQIRNSH-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.62
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 25014698) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID25014698
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O3/c22-18-4-2-17(3-5-18)16-21(25)23-19-6-8-20(9-7-19)27-13-1-10-24-11-14-26-15-12-24/h2-9H,1,10-16H2,(H,23,25)
InChIKeyVCQMUPWNQIRNSH-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 25014698) is 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is VCQMUPWNQIRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-18-4-2-17(3-5-18)16-21(25)23-19-6-8-20(9-7-19)27-13-1-10-24-11-14-26-15-12-24/h2-9H,1,10-16H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 388.90 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 25014698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).