2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

C22H26N2O5 — CID 25014612

IUPAC2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C22H26N2O5/c25-22(14-17-5-6-20-21(13-17)29-16-28-20)23-18-3-1-4-19(15-18)27-10-2-7-24-8-11-26-12-9-24/h1,3-6,13,15H,2,7-12,14,16H2,(H,23,25)
InChIKeyQIAFBTIJFNZMQI-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.70
Rot. Bonds8

About 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 25014612) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID25014612
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C22H26N2O5/c25-22(14-17-5-6-20-21(13-17)29-16-28-20)23-18-3-1-4-19(15-18)27-10-2-7-24-8-11-26-12-9-24/h1,3-6,13,15H,2,7-12,14,16H2,(H,23,25)
InChIKeyQIAFBTIJFNZMQI-UHFFFAOYSA-N
XLogP2.70
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 25014612) is 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is QIAFBTIJFNZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c25-22(14-17-5-6-20-21(13-17)29-16-28-20)23-18-3-1-4-19(15-18)27-10-2-7-24-8-11-26-12-9-24/h1,3-6,13,15H,2,7-12,14,16H2,(H,23,25).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 25014612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).