N-[4-(dipropylamino)butyl]-4-phenylbenzamide

C23H32N2O — CID 25139332

IUPACN-[4-(dipropylamino)butyl]-4-phenylbenzamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-3-17-25(18-4-2)19-9-8-16-24-23(26)22-14-12-21(13-15-22)20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-19H2,1-2H3,(H,24,26)
InChIKeyHXCWGVSINJYYSW-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.99
Rot. Bonds11

About N-[4-(dipropylamino)butyl]-4-phenylbenzamide

N-[4-(dipropylamino)butyl]-4-phenylbenzamide (PubChem CID 25139332) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[4-(dipropylamino)butyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(dipropylamino)butyl]-4-phenylbenzamide
PubChem CID25139332
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-[4-(dipropylamino)butyl]-4-phenylbenzamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H32N2O/c1-3-17-25(18-4-2)19-9-8-16-24-23(26)22-14-12-21(13-15-22)20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-19H2,1-2H3,(H,24,26)
InChIKeyHXCWGVSINJYYSW-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
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 N-[4-(dipropylamino)butyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(dipropylamino)butyl]-4-phenylbenzamide (CID 25139332) is N-[4-(dipropylamino)butyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(dipropylamino)butyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(dipropylamino)butyl]-4-phenylbenzamide is CCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(dipropylamino)butyl]-4-phenylbenzamide?
The InChIKey is HXCWGVSINJYYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-3-17-25(18-4-2)19-9-8-16-24-23(26)22-14-12-21(13-15-22)20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-19H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(dipropylamino)butyl]-4-phenylbenzamide?
N-[4-(dipropylamino)butyl]-4-phenylbenzamide has a molecular weight of 352.52 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylamino)butyl]-4-phenylbenzamide is sourced from PubChem (CID 25139332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).