2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide

C29H33NO — CID 67590855

IUPAC2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide
SMILESCCC(=C(c1ccccc1)c1ccc(C(C)C(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C29H33NO/c1-5-27(24-14-10-8-11-15-24)28(25-16-12-9-13-17-25)26-20-18-23(19-21-26)22(4)29(31)30(6-2)7-3/h8-22H,5-7H2,1-4H3
InChIKeyYJIFPMNBKWATIJ-UHFFFAOYSA-N
MW411.59 g/mol
LogP7.03
Rot. Bonds8

About 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide

2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide (PubChem CID 67590855) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide
PubChem CID67590855
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide
SMILESCCC(=C(c1ccccc1)c1ccc(C(C)C(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C29H33NO/c1-5-27(24-14-10-8-11-15-24)28(25-16-12-9-13-17-25)26-20-18-23(19-21-26)22(4)29(31)30(6-2)7-3/h8-22H,5-7H2,1-4H3
InChIKeyYJIFPMNBKWATIJ-UHFFFAOYSA-N
XLogP7.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide 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

4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 167478772
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
(E)-3-[4-[(E)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 22144591
N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127048581
4-[1-(4-fluorophenyl)-2-phenylbut-1-enyl]benzaldehyde
CID 85433992
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide?
The IUPAC name of 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide (CID 67590855) is 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide is CCC(=C(c1ccccc1)c1ccc(C(C)C(=O)N(CC)CC)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide?
The InChIKey is YJIFPMNBKWATIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-5-27(24-14-10-8-11-15-24)28(25-16-12-9-13-17-25)26-20-18-23(19-21-26)22(4)29(31)30(6-2)7-3/h8-22H,5-7H2,1-4H3.
What are the key properties of 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide?
2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide has a molecular weight of 411.59 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-diphenylbut-1-enyl)phenyl]-N,N-diethylpropanamide is sourced from PubChem (CID 67590855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).