N-[3-(2-phenylethylamino)prop-2-enyl]benzamide

C18H20N2O — CID 70265717

IUPACN-[3-(2-phenylethylamino)prop-2-enyl]benzamide
SMILESO=C(NCC=CNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c21-18(17-10-5-2-6-11-17)20-14-7-13-19-15-12-16-8-3-1-4-9-16/h1-11,13,19H,12,14-15H2,(H,20,21)
InChIKeySFBHRBKSBAPQOV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(2-phenylethylamino)prop-2-enyl]benzamide

N-[3-(2-phenylethylamino)prop-2-enyl]benzamide (PubChem CID 70265717) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[3-(2-phenylethylamino)prop-2-enyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-phenylethylamino)prop-2-enyl]benzamide
PubChem CID70265717
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[3-(2-phenylethylamino)prop-2-enyl]benzamide
SMILESO=C(NCC=CNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c21-18(17-10-5-2-6-11-17)20-14-7-13-19-15-12-16-8-3-1-4-9-16/h1-11,13,19H,12,14-15H2,(H,20,21)
InChIKeySFBHRBKSBAPQOV-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-phenylethylamino)prop-2-enyl]benzamide 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(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
CID 175163770
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
N-(2-sulfonylethyl)benzamide
CID 151291647
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
1,1,1-trifluoro-4-(2-phenylethylamino)but-3-en-2-one
CID 3572960

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethylamino)prop-2-enyl]benzamide?
The IUPAC name of N-[3-(2-phenylethylamino)prop-2-enyl]benzamide (CID 70265717) is N-[3-(2-phenylethylamino)prop-2-enyl]benzamide.
What is the SMILES notation for N-[3-(2-phenylethylamino)prop-2-enyl]benzamide?
The canonical SMILES for N-[3-(2-phenylethylamino)prop-2-enyl]benzamide is O=C(NCC=CNCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(2-phenylethylamino)prop-2-enyl]benzamide?
The InChIKey is SFBHRBKSBAPQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(17-10-5-2-6-11-17)20-14-7-13-19-15-12-16-8-3-1-4-9-16/h1-11,13,19H,12,14-15H2,(H,20,21).
What are the key properties of N-[3-(2-phenylethylamino)prop-2-enyl]benzamide?
N-[3-(2-phenylethylamino)prop-2-enyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethylamino)prop-2-enyl]benzamide is sourced from PubChem (CID 70265717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).