N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide

C24H23NO2 — CID 171061426

IUPACN-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide
SMILESC=CCC(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C24H23NO2/c1-3-18-24(20-14-8-5-9-15-20,21-16-10-11-17-22(21)27-2)25-23(26)19-12-6-4-7-13-19/h3-17H,1,18H2,2H3,(H,25,26)
InChIKeyCWTRRFFTHSEBTM-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide

N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide (PubChem CID 171061426) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide
PubChem CID171061426
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide
SMILESC=CCC(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C24H23NO2/c1-3-18-24(20-14-8-5-9-15-20,21-16-10-11-17-22(21)27-2)25-23(26)19-12-6-4-7-13-19/h3-17H,1,18H2,2H3,(H,25,26)
InChIKeyCWTRRFFTHSEBTM-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol
CID 11832634
N-[(E)-4-(4-fluorophenyl)-1,1-diphenylbut-3-enyl]benzamide
CID 171061420
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-benzamido-2-methylpent-4-enoate
CID 10072309
2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
CID 101211105
1-(2-methoxyphenyl)-3-phenylbut-3-en-1-one
CID 67489510
methyl 2-benzyl-2-[(4-methylbenzoyl)amino]pent-4-enoate
CID 102084219
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
CID 23007822
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
methoxycarbonyl 2-benzoyl-2-methylpent-4-enoate
CID 10612481
methyl N-(2,2-diphenylpent-4-enyl)carbamate
CID 135072663
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide (CID 171061426) is N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide is C=CCC(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide?
The InChIKey is CWTRRFFTHSEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-3-18-24(20-14-8-5-9-15-20,21-16-10-11-17-22(21)27-2)25-23(26)19-12-6-4-7-13-19/h3-17H,1,18H2,2H3,(H,25,26).
What are the key properties of N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide?
N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide is sourced from PubChem (CID 171061426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).