4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide

C17H24BrN3O3 — CID 25162714

IUPAC4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H24BrN3O3/c18-15-4-2-14(3-5-15)17(23)20-8-6-16(22)19-7-1-9-21-10-12-24-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)
InChIKeyABQNRZUIZYUTCT-UHFFFAOYSA-N
MW398.30 g/mol
LogP1.41
Rot. Bonds8

About 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide

4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide (PubChem CID 25162714) has the molecular formula C17H24BrN3O3 and a molecular weight of 398.30 g/mol. Its IUPAC name is 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
PubChem CID25162714
Molecular FormulaC17H24BrN3O3
Molecular Weight398.30 g/mol
Exact Mass397.10
IUPAC Name4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H24BrN3O3/c18-15-4-2-14(3-5-15)17(23)20-8-6-16(22)19-7-1-9-21-10-12-24-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)
InChIKeyABQNRZUIZYUTCT-UHFFFAOYSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide (CID 25162714) is 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCCCN1CCOCC1.
What is the InChIKey of 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
The InChIKey is ABQNRZUIZYUTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3/c18-15-4-2-14(3-5-15)17(23)20-8-6-16(22)19-7-1-9-21-10-12-24-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23).
What are the key properties of 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide has a molecular weight of 398.30 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 25162714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).