4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide

C26H26N2O2 — CID 5470459

IUPAC4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide
SMILESC/C(=C\c1ccccc1)C(=O)NCc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H26N2O2/c1-20(18-22-10-6-3-7-11-22)25(29)28-19-23-12-14-24(15-13-23)26(30)27-17-16-21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3,(H,27,30)(H,28,29)/b20-18+
InChIKeyJMYBQJVKWWYLAZ-CZIZESTLSA-N
MW398.51 g/mol
LogP4.38
Rot. Bonds8

About 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide

4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide (PubChem CID 5470459) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide
PubChem CID5470459
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide
SMILESC/C(=C\c1ccccc1)C(=O)NCc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H26N2O2/c1-20(18-22-10-6-3-7-11-22)25(29)28-19-23-12-14-24(15-13-23)26(30)27-17-16-21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3,(H,27,30)(H,28,29)/b20-18+
InChIKeyJMYBQJVKWWYLAZ-CZIZESTLSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide
CID 5470473
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 71017879
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide (CID 5470459) is 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide is C/C(=C\c1ccccc1)C(=O)NCc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide?
The InChIKey is JMYBQJVKWWYLAZ-CZIZESTLSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-20(18-22-10-6-3-7-11-22)25(29)28-19-23-12-14-24(15-13-23)26(30)27-17-16-21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3,(H,27,30)(H,28,29)/b20-18+.
What are the key properties of 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide?
4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 5470459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).