N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide

C26H27NO2 — CID 57485486

IUPACN-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C=O)cc1)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-3-25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)20-28/h4-17,20H,3,18-19H2,1-2H3/b26-25-
InChIKeyPHDKSCLYRJFXEM-QPLCGJKRSA-N
MW385.51 g/mol
LogP5.52
Rot. Bonds9

About N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide

N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide (PubChem CID 57485486) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide
PubChem CID57485486
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC NameN-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C=O)cc1)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-3-25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)20-28/h4-17,20H,3,18-19H2,1-2H3/b26-25-
InChIKeyPHDKSCLYRJFXEM-QPLCGJKRSA-N
XLogP5.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide
CID 166643688
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
CID 6263876
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
N-methyl-N-(2-phenoxyethyl)formamide
CID 64992361
N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-methoxy-N-methylphosphonamidic acid
CID 76835085
[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]methyl propanoate
CID 174408704
[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]methyl acetate
CID 67397679
N,N-dimethyl-2-[4-[(E)-1-(4-methylsulfinylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 14509105
N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-3-(fluoromethyl)-N-methylpentan-3-amine
CID 18650177
CID 123937819
CID 123937819
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
CID 67854533

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide?
The IUPAC name of N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide (CID 57485486) is N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide.
What is the SMILES notation for N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide?
The canonical SMILES for N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide is CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C=O)cc1)c1ccccc1.
What is the InChIKey of N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide?
The InChIKey is PHDKSCLYRJFXEM-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H27NO2/c1-3-25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)20-28/h4-17,20H,3,18-19H2,1-2H3/b26-25-.
What are the key properties of N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide?
N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide has a molecular weight of 385.51 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide is sourced from PubChem (CID 57485486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).