2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide

C28H30N2O2 — CID 23544093

IUPAC2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide
SMILESO=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCCc2cc(O)ccc2C1
InChIInChI=1S/C28H30N2O2/c31-26-16-15-24-20-30(18-8-13-23(24)19-26)21-25-12-4-5-14-27(25)28(32)29-17-7-6-11-22-9-2-1-3-10-22/h1-6,9-12,14-16,19,31H,7-8,13,17-18,20-21H2,(H,29,32)/b11-6+
InChIKeyJZURDOJGJVJIIC-IZZDOVSWSA-N
MW426.56 g/mol
LogP5.17
Rot. Bonds7

About 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide

2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide (PubChem CID 23544093) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide.

Molecular Properties

Compound Name2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide
PubChem CID23544093
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide
SMILESO=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCCc2cc(O)ccc2C1
InChIInChI=1S/C28H30N2O2/c31-26-16-15-24-20-30(18-8-13-23(24)19-26)21-25-12-4-5-14-27(25)28(32)29-17-7-6-11-22-9-2-1-3-10-22/h1-6,9-12,14-16,19,31H,7-8,13,17-18,20-21H2,(H,29,32)/b11-6+
InChIKeyJZURDOJGJVJIIC-IZZDOVSWSA-N
XLogP5.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-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

N-(2-(4-Hydroxyphenyl)ethyl)benzamide
CID 577614
Benzamide, N-[(2-hydroxy-1-naphthalenyl)methyl]-
CID 796808
H-Dmt-Aba-Gly-NH-CH2-Ph
CID 11664525
Tyr-(S)-Aba-Gly-Phe-NH2
CID 24755070
Biphenyl-4-carboxylic acid {4-[(5-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-butyl}-amide
CID 19592091
3-hydroxy-N-[2-[(3-hydroxybenzoyl)amino]ethyl]benzamide
CID 1595148
Tyr-(R)-Aba-Gly-Phe-NH2
CID 24755140
N-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-benzamide
CID 10884964
N-(cyclohexylmethyl)-3-(4-hydroxyphenyl)benzamide
CID 2084273
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-phenyl-butyl)-benzamide
CID 10024067
2-(7-Hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-phenyl-but-3-enyl)-benzamide
CID 10048123
2-(5-Hydroxy-1,3-dihydro-isoindol-2-ylmethyl)-N-(4-phenyl-but-3-enyl)-benzamide
CID 10476003

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide?
The IUPAC name of 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide (CID 23544093) is 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide.
What is the SMILES notation for 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide?
The canonical SMILES for 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide is O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCCc2cc(O)ccc2C1.
What is the InChIKey of 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide?
The InChIKey is JZURDOJGJVJIIC-IZZDOVSWSA-N. The full InChI is InChI=1S/C28H30N2O2/c31-26-16-15-24-20-30(18-8-13-23(24)19-26)21-25-12-4-5-14-27(25)28(32)29-17-7-6-11-22-9-2-1-3-10-22/h1-6,9-12,14-16,19,31H,7-8,13,17-18,20-21H2,(H,29,32)/b11-6+.
What are the key properties of 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide?
2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]-N-[(E)-4-phenylbut-3-enyl]benzamide is sourced from PubChem (CID 23544093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).