N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide

C23H28N2O — CID 123237148

IUPACN-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide
SMILESCC/C(=C\C=N\Cc1ccccc1)c1ccc(C(CC)NC(C)=O)cc1
InChIInChI=1S/C23H28N2O/c1-4-20(15-16-24-17-19-9-7-6-8-10-19)21-11-13-22(14-12-21)23(5-2)25-18(3)26/h6-16,23H,4-5,17H2,1-3H3,(H,25,26)/b20-15+,24-16+
InChIKeyLXTYASWOWYQKKB-XTONLTPISA-N
MW348.49 g/mol
LogP5.34
Rot. Bonds8

About N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide

N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide (PubChem CID 123237148) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide
PubChem CID123237148
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide
SMILESCC/C(=C\C=N\Cc1ccccc1)c1ccc(C(CC)NC(C)=O)cc1
InChIInChI=1S/C23H28N2O/c1-4-20(15-16-24-17-19-9-7-6-8-10-19)21-11-13-22(14-12-21)23(5-2)25-18(3)26/h6-16,23H,4-5,17H2,1-3H3,(H,25,26)/b20-15+,24-16+
InChIKeyLXTYASWOWYQKKB-XTONLTPISA-N
XLogP5.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
CID 107769437
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
methyl 2-acetamido-3-(1-phenylpropylamino)propanoate
CID 103248077
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide?
The IUPAC name of N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide (CID 123237148) is N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide.
What is the SMILES notation for N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide?
The canonical SMILES for N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide is CC/C(=C\C=N\Cc1ccccc1)c1ccc(C(CC)NC(C)=O)cc1.
What is the InChIKey of N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide?
The InChIKey is LXTYASWOWYQKKB-XTONLTPISA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-20(15-16-24-17-19-9-7-6-8-10-19)21-11-13-22(14-12-21)23(5-2)25-18(3)26/h6-16,23H,4-5,17H2,1-3H3,(H,25,26)/b20-15+,24-16+.
What are the key properties of N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide?
N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(E)-1-benzyliminopent-2-en-3-yl]phenyl]propyl]acetamide is sourced from PubChem (CID 123237148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).