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

C28H31NO2 — CID 166643688

IUPACN-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CCOc1ccc(C(=C(CC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H31NO2/c1-4-26(22-12-8-6-9-13-22)28(23-14-10-7-11-15-23)24-16-18-25(19-17-24)31-21-20-29(3)27(30)5-2/h6-19H,4-5,20-21H2,1-3H3
InChIKeyHVHXHTPSGQGVOL-UHFFFAOYSA-N
MW413.56 g/mol
LogP6.30
Rot. Bonds9

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

N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide (PubChem CID 166643688) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide
PubChem CID166643688
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC NameN-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CCOc1ccc(C(=C(CC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H31NO2/c1-4-26(22-12-8-6-9-13-22)28(23-14-10-7-11-15-23)24-16-18-25(19-17-24)31-21-20-29(3)27(30)5-2/h6-19H,4-5,20-21H2,1-3H3
InChIKeyHVHXHTPSGQGVOL-UHFFFAOYSA-N
XLogP6.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide
CID 143870405
3-[2-[2-[2-[2-[3-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 134174442
2-(2-hydroxyethoxy)-N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylacetamide
CID 167110073
N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide
CID 57485486
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
CID 6263876
butyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate
CID 143870398
[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-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
2-[4-[1-(3-bromophenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 139774945
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
N,N-dimethyl-2-[4-[(E)-1-(4-methylsulfinylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 14509105

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide?
The IUPAC name of N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide (CID 166643688) is N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide?
The canonical SMILES for N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide is CCC(=O)N(C)CCOc1ccc(C(=C(CC)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide?
The InChIKey is HVHXHTPSGQGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-4-26(22-12-8-6-9-13-22)28(23-14-10-7-11-15-23)24-16-18-25(19-17-24)31-21-20-29(3)27(30)5-2/h6-19H,4-5,20-21H2,1-3H3.
What are the key properties of N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide?
N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide has a molecular weight of 413.56 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide is sourced from PubChem (CID 166643688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).