N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide

C26H27NO2 — CID 127048581

IUPACN-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
SMILESCC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C26H27NO2/c1-4-24(19-12-16-23(28)17-13-19)25(20-8-6-5-7-9-20)21-10-14-22(15-11-21)27-26(29)18(2)3/h5-18,28H,4H2,1-3H3,(H,27,29)/b25-24+
InChIKeyXPYGQPKIDKEOSU-OCOZRVBESA-N
MW385.51 g/mol
LogP6.36
Rot. Bonds6

About N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide

N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide (PubChem CID 127048581) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
PubChem CID127048581
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC NameN-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
SMILESCC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C26H27NO2/c1-4-24(19-12-16-23(28)17-13-19)25(20-8-6-5-7-9-20)21-10-14-22(15-11-21)27-26(29)18(2)3/h5-18,28H,4H2,1-3H3,(H,27,29)/b25-24+
InChIKeyXPYGQPKIDKEOSU-OCOZRVBESA-N
XLogP6.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
CID 127048622
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(Z)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]phenol
CID 177122959
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
CID 53376739
CID 53376739
4-[1-[3-bromo-4-(2-bromoethyl)phenyl]-2-phenylbut-1-enyl]phenol
CID 141293834
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
1-iodo-4-[(E)-2-phenyl-1-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 167478772
acetic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 172835225
2-methyl-N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]propanamide
CID 1263273
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide (CID 127048581) is N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide is CC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
The InChIKey is XPYGQPKIDKEOSU-OCOZRVBESA-N. The full InChI is InChI=1S/C26H27NO2/c1-4-24(19-12-16-23(28)17-13-19)25(20-8-6-5-7-9-20)21-10-14-22(15-11-21)27-26(29)18(2)3/h5-18,28H,4H2,1-3H3,(H,27,29)/b25-24+.
What are the key properties of N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide has a molecular weight of 385.51 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 127048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).