4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide

C25H34N2O — CID 23090890

IUPAC4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
SMILESCCCCCc1ccc(C(=O)NCCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C25H34N2O/c1-2-3-4-7-21-12-14-24(15-13-21)25(28)26-17-16-22-8-10-23(11-9-22)20-27-18-5-6-19-27/h8-15H,2-7,16-20H2,1H3,(H,26,28)
InChIKeyQWLOBBQYUAMOBK-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.99
Rot. Bonds10

About 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide

4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide (PubChem CID 23090890) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
PubChem CID23090890
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
SMILESCCCCCc1ccc(C(=O)NCCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C25H34N2O/c1-2-3-4-7-21-12-14-24(15-13-21)25(28)26-17-16-22-8-10-23(11-9-22)20-27-18-5-6-19-27/h8-15H,2-7,16-20H2,1H3,(H,26,28)
InChIKeyQWLOBBQYUAMOBK-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
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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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
N-pentyl-4-propylbenzamide
CID 70894308
N-hexyl-4-propylbenzamide
CID 70894310

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide (CID 23090890) is 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide is CCCCCc1ccc(C(=O)NCCc2ccc(CN3CCCC3)cc2)cc1.
What is the InChIKey of 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide?
The InChIKey is QWLOBBQYUAMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-2-3-4-7-21-12-14-24(15-13-21)25(28)26-17-16-22-8-10-23(11-9-22)20-27-18-5-6-19-27/h8-15H,2-7,16-20H2,1H3,(H,26,28).
What are the key properties of 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide?
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide has a molecular weight of 378.56 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 23090890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).