N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide

C25H25NO3 — CID 176680471

IUPACN-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC=O)cc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-2-24(19-6-4-3-5-7-19)25(20-8-12-22(28)13-9-20)21-10-14-23(15-11-21)29-17-16-26-18-27/h3-15,18,28H,2,16-17H2,1H3,(H,26,27)/b25-24-
InChIKeyPPWYIDQZBLRYKH-IZHYLOQSSA-N
MW387.48 g/mol
LogP4.89
Rot. Bonds9

About N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide

N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide (PubChem CID 176680471) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide
PubChem CID176680471
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC=O)cc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-2-24(19-6-4-3-5-7-19)25(20-8-12-22(28)13-9-20)21-10-14-23(15-11-21)29-17-16-26-18-27/h3-15,18,28H,2,16-17H2,1H3,(H,26,27)/b25-24-
InChIKeyPPWYIDQZBLRYKH-IZHYLOQSSA-N
XLogP4.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
3-[(Z)-1-[4-[2-(ethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 13106546
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethylamino]oxyoxane-2-carboxylic acid
CID 165361840
4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 70452870
ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide
CID 143870405
4-[(E)-1-[4-[2-[7-(4,4,5,5,5-pentafluoropentylsulfinyl)heptylamino]ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 54671345
4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
CID 143870397
N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide
CID 57485486
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-hydroxyphenyl)but-1-en-2-yl]phenol
CID 73386689

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide?
The IUPAC name of N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide (CID 176680471) is N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide?
The canonical SMILES for N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide is CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC=O)cc1)c1ccccc1.
What is the InChIKey of N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide?
The InChIKey is PPWYIDQZBLRYKH-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H25NO3/c1-2-24(19-6-4-3-5-7-19)25(20-8-12-22(28)13-9-20)21-10-14-23(15-11-21)29-17-16-26-18-27/h3-15,18,28H,2,16-17H2,1H3,(H,26,27)/b25-24-.
What are the key properties of N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide?
N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide has a molecular weight of 387.48 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide is sourced from PubChem (CID 176680471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).