4-phenyl-N-[4-(propylamino)butyl]benzamide

C20H26N2O — CID 25139331

IUPAC4-phenyl-N-[4-(propylamino)butyl]benzamide
SMILESCCCNCCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-2-14-21-15-6-7-16-22-20(23)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13,21H,2,6-7,14-16H2,1H3,(H,22,23)
InChIKeyQAAKBUYWNXINKR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.86
Rot. Bonds9

About 4-phenyl-N-[4-(propylamino)butyl]benzamide

4-phenyl-N-[4-(propylamino)butyl]benzamide (PubChem CID 25139331) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-phenyl-N-[4-(propylamino)butyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(propylamino)butyl]benzamide
PubChem CID25139331
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-phenyl-N-[4-(propylamino)butyl]benzamide
SMILESCCCNCCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-2-14-21-15-6-7-16-22-20(23)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13,21H,2,6-7,14-16H2,1H3,(H,22,23)
InChIKeyQAAKBUYWNXINKR-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-phenyl-N-[4-(propylamino)butyl]benzamide?
The IUPAC name of 4-phenyl-N-[4-(propylamino)butyl]benzamide (CID 25139331) is 4-phenyl-N-[4-(propylamino)butyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[4-(propylamino)butyl]benzamide?
The canonical SMILES for 4-phenyl-N-[4-(propylamino)butyl]benzamide is CCCNCCCCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(propylamino)butyl]benzamide?
The InChIKey is QAAKBUYWNXINKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-14-21-15-6-7-16-22-20(23)19-12-10-18(11-13-19)17-8-4-3-5-9-17/h3-5,8-13,21H,2,6-7,14-16H2,1H3,(H,22,23).
What are the key properties of 4-phenyl-N-[4-(propylamino)butyl]benzamide?
4-phenyl-N-[4-(propylamino)butyl]benzamide has a molecular weight of 310.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(propylamino)butyl]benzamide is sourced from PubChem (CID 25139331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).