2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide

C33H33NO2 — CID 127048623

IUPAC2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
SMILESCC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H33NO2/c1-4-31(26-17-21-30(22-18-26)36-23-25-11-7-5-8-12-25)32(27-13-9-6-10-14-27)28-15-19-29(20-16-28)34-33(35)24(2)3/h5-22,24H,4,23H2,1-3H3,(H,34,35)/b32-31+
InChIKeyWFCKQEUCJOQUCE-QNEJGDQOSA-N
MW475.63 g/mol
LogP8.23
Rot. Bonds9

About 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide

2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide (PubChem CID 127048623) has the molecular formula C33H33NO2 and a molecular weight of 475.63 g/mol. Its IUPAC name is 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
PubChem CID127048623
Molecular FormulaC33H33NO2
Molecular Weight475.63 g/mol
Exact Mass475.25
IUPAC Name2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
SMILESCC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H33NO2/c1-4-31(26-17-21-30(22-18-26)36-23-25-11-7-5-8-12-25)32(27-13-9-6-10-14-27)28-15-19-29(20-16-28)34-33(35)24(2)3/h5-22,24H,4,23H2,1-3H3,(H,34,35)/b32-31+
InChIKeyWFCKQEUCJOQUCE-QNEJGDQOSA-N
XLogP8.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide (CID 127048623) is 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide is CC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
The InChIKey is WFCKQEUCJOQUCE-QNEJGDQOSA-N. The full InChI is InChI=1S/C33H33NO2/c1-4-31(26-17-21-30(22-18-26)36-23-25-11-7-5-8-12-25)32(27-13-9-6-10-14-27)28-15-19-29(20-16-28)34-33(35)24(2)3/h5-22,24H,4,23H2,1-3H3,(H,34,35)/b32-31+.
What are the key properties of 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide has a molecular weight of 475.63 g/mol, XLogP of 8.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(E)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide is sourced from PubChem (CID 127048623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).