N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide

C34H34N2O2 — CID 118604265

IUPACN-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
SMILESC/C(=C(/C)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C34H34N2O2/c1-23(27-15-19-31(20-16-27)33(37)35-25(3)29-11-7-5-8-12-29)24(2)28-17-21-32(22-18-28)34(38)36-26(4)30-13-9-6-10-14-30/h5-22,25-26H,1-4H3,(H,35,37)(H,36,38)/b24-23+/t25-,26-/m0/s1
InChIKeyVTMZHSBPVKQHAE-MGHSJVFESA-N
MW502.66 g/mol
LogP7.62
Rot. Bonds8

About N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide

N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide (PubChem CID 118604265) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
PubChem CID118604265
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC NameN-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
SMILESC/C(=C(/C)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C34H34N2O2/c1-23(27-15-19-31(20-16-27)33(37)35-25(3)29-11-7-5-8-12-29)24(2)28-17-21-32(22-18-28)34(38)36-26(4)30-13-9-6-10-14-30/h5-22,25-26H,1-4H3,(H,35,37)(H,36,38)/b24-23+/t25-,26-/m0/s1
InChIKeyVTMZHSBPVKQHAE-MGHSJVFESA-N
XLogP7.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]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

4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
CID 690409
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
1-oxido-N-[(1R)-1-phenylethyl]pyridin-1-ium-4-carboxamide
CID 27162405
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide (CID 118604265) is N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide is C/C(=C(/C)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide?
The InChIKey is VTMZHSBPVKQHAE-MGHSJVFESA-N. The full InChI is InChI=1S/C34H34N2O2/c1-23(27-15-19-31(20-16-27)33(37)35-25(3)29-11-7-5-8-12-29)24(2)28-17-21-32(22-18-28)34(38)36-26(4)30-13-9-6-10-14-30/h5-22,25-26H,1-4H3,(H,35,37)(H,36,38)/b24-23+/t25-,26-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide?
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide has a molecular weight of 502.66 g/mol, XLogP of 7.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide is sourced from PubChem (CID 118604265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).