2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide

C25H24N2O2 — CID 72616094

IUPAC2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(O)N=Cc1ccc(C=Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-19(23-10-6-3-7-11-23)27-25(29)24(28)26-18-22-16-14-21(15-17-22)13-12-20-8-4-2-5-9-20/h2-19,24,28H,1H3,(H,27,29)
InChIKeyJOMLOEDROXLBMN-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.47
Rot. Bonds7

About 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide

2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide (PubChem CID 72616094) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide
PubChem CID72616094
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(O)N=Cc1ccc(C=Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-19(23-10-6-3-7-11-23)27-25(29)24(28)26-18-22-16-14-21(15-17-22)13-12-20-8-4-2-5-9-20/h2-19,24,28H,1H3,(H,27,29)
InChIKeyJOMLOEDROXLBMN-UHFFFAOYSA-N
XLogP4.47
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-(methylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 12739398
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
[2-hydroxy-3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]carbamic acid
CID 90971348
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
1-(benzylideneamino)ethanol
CID 66697160
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide (CID 72616094) is 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)C(O)N=Cc1ccc(C=Cc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide?
The InChIKey is JOMLOEDROXLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-19(23-10-6-3-7-11-23)27-25(29)24(28)26-18-22-16-14-21(15-17-22)13-12-20-8-4-2-5-9-20/h2-19,24,28H,1H3,(H,27,29).
What are the key properties of 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide?
2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[[4-(2-phenylethenyl)phenyl]methylideneamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 72616094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).