3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide

C28H37F3N2O5 — CID 167072051

IUPAC3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCCCN(CCC)CCC(=O)Nc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OCC(F)(F)F
InChIInChI=1S/C28H37F3N2O5/c1-6-13-33(14-7-2)15-12-26(34)32-22-16-20(10-11-23(22)38-19-28(29,30)31)8-9-21-17-24(35-3)27(37-5)25(18-21)36-4/h8-11,16-18H,6-7,12-15,19H2,1-5H3,(H,32,34)/b9-8-
InChIKeyHGZYKWXDAONVHO-HJWRWDBZSA-N
MW538.61 g/mol
LogP6.27
Rot. Bonds15

About 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide

3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (PubChem CID 167072051) has the molecular formula C28H37F3N2O5 and a molecular weight of 538.61 g/mol. Its IUPAC name is 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
PubChem CID167072051
Molecular FormulaC28H37F3N2O5
Molecular Weight538.61 g/mol
Exact Mass538.27
IUPAC Name3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCCCN(CCC)CCC(=O)Nc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OCC(F)(F)F
InChIInChI=1S/C28H37F3N2O5/c1-6-13-33(14-7-2)15-12-26(34)32-22-16-20(10-11-23(22)38-19-28(29,30)31)8-9-21-17-24(35-3)27(37-5)25(18-21)36-4/h8-11,16-18H,6-7,12-15,19H2,1-5H3,(H,32,34)/b9-8-
InChIKeyHGZYKWXDAONVHO-HJWRWDBZSA-N
XLogP6.27
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The IUPAC name of 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (CID 167072051) is 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.
What is the SMILES notation for 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The canonical SMILES for 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is CCCN(CCC)CCC(=O)Nc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OCC(F)(F)F.
What is the InChIKey of 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The InChIKey is HGZYKWXDAONVHO-HJWRWDBZSA-N. The full InChI is InChI=1S/C28H37F3N2O5/c1-6-13-33(14-7-2)15-12-26(34)32-22-16-20(10-11-23(22)38-19-28(29,30)31)8-9-21-17-24(35-3)27(37-5)25(18-21)36-4/h8-11,16-18H,6-7,12-15,19H2,1-5H3,(H,32,34)/b9-8-.
What are the key properties of 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide has a molecular weight of 538.61 g/mol, XLogP of 6.27, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is sourced from PubChem (CID 167072051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).