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

C33H33NO2 — CID 127048622

IUPAC2-methyl-N-[4-[(Z)-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-MVJHLKBCSA-N
MW475.63 g/mol
LogP8.23
Rot. Bonds9

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

2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide (PubChem CID 127048622) has the molecular formula C33H33NO2 and a molecular weight of 475.63 g/mol. Its IUPAC name is 2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide
PubChem CID127048622
Molecular FormulaC33H33NO2
Molecular Weight475.63 g/mol
Exact Mass475.25
IUPAC Name2-methyl-N-[4-[(Z)-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-MVJHLKBCSA-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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Related Compounds

N-[4-[(E)-2-(4-hydroxyphenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127048581
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
1-phenylmethoxy-4-[(Z)-2-phenyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]but-1-enyl]benzene
CID 140928916

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide (CID 127048622) is 2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(Z)-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-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
The InChIKey is WFCKQEUCJOQUCE-MVJHLKBCSA-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-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide?
2-methyl-N-[4-[(Z)-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-[(Z)-1-phenyl-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]propanamide is sourced from PubChem (CID 127048622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).