(2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide

C26H24N2O — CID 172682950

IUPAC(2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide
SMILESC=Cc1ccc(/C=N/[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C=C)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-3-20-10-12-23(13-11-20)19-27-25(18-22-8-6-5-7-9-22)26(29)28-24-16-14-21(4-2)15-17-24/h3-17,19,25H,1-2,18H2,(H,28,29)/b27-19+/t25-/m0/s1
InChIKeyAQPIYTGEUFGNCD-WINMZROPSA-N
MW380.49 g/mol
LogP5.64
Rot. Bonds8

About (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide

(2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 172682950) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID172682950
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name(2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide
SMILESC=Cc1ccc(/C=N/[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C=C)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-3-20-10-12-23(13-11-20)19-27-25(18-22-8-6-5-7-9-22)26(29)28-24-16-14-21(4-2)15-17-24/h3-17,19,25H,1-2,18H2,(H,28,29)/b27-19+/t25-/m0/s1
InChIKeyAQPIYTGEUFGNCD-WINMZROPSA-N
XLogP5.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanoic acid
CID 70622231
(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoic acid
CID 102584454
2-(benzylideneamino)-3-phenylpropanoic acid
CID 12560761
N-(4-ethenylphenyl)-2,2-diphenylacetamide
CID 122527147
methyl (2S)-2-[(4-hydroxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135404719
(4-ethenylphenyl)carbamic acid
CID 22352089
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
CID 43845154
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 137349128
ethyl (2S)-2-[[4-[[(2S)-1-ethylperoxy-3-phenylpropan-2-yl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoate
CID 89206052
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide (CID 172682950) is (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide is C=Cc1ccc(/C=N/[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C=C)cc2)cc1.
What is the InChIKey of (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is AQPIYTGEUFGNCD-WINMZROPSA-N. The full InChI is InChI=1S/C26H24N2O/c1-3-20-10-12-23(13-11-20)19-27-25(18-22-8-6-5-7-9-22)26(29)28-24-16-14-21(4-2)15-17-24/h3-17,19,25H,1-2,18H2,(H,28,29)/b27-19+/t25-/m0/s1.
What are the key properties of (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide?
(2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 172682950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).