(Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile

C25H30N2O6 — CID 10917429

IUPAC(Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile
SMILESCOc1cc(C/C(C#N)=C/N2CCOCC2)ccc1OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H30N2O6/c1-28-22-12-18(11-20(15-26)16-27-7-9-32-10-8-27)5-6-21(22)33-17-19-13-23(29-2)25(31-4)24(14-19)30-3/h5-6,12-14,16H,7-11,17H2,1-4H3/b20-16-
InChIKeyJNSMLCVVZGCCKR-SILNSSARSA-N
MW454.52 g/mol
LogP3.58
Rot. Bonds10

About (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile

(Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile (PubChem CID 10917429) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile
PubChem CID10917429
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name(Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile
SMILESCOc1cc(C/C(C#N)=C/N2CCOCC2)ccc1OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H30N2O6/c1-28-22-12-18(11-20(15-26)16-27-7-9-32-10-8-27)5-6-21(22)33-17-19-13-23(29-2)25(31-4)24(14-19)30-3/h5-6,12-14,16H,7-11,17H2,1-4H3/b20-16-
InChIKeyJNSMLCVVZGCCKR-SILNSSARSA-N
XLogP3.58
TPSA82.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylprop-2-enamide
CID 108836217
2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
CID 23961778
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
(Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843603
2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine
CID 62048650
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
5-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
CID 2985527

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile (CID 10917429) is (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile is COc1cc(C/C(C#N)=C/N2CCOCC2)ccc1OCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile?
The InChIKey is JNSMLCVVZGCCKR-SILNSSARSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-28-22-12-18(11-20(15-26)16-27-7-9-32-10-8-27)5-6-21(22)33-17-19-13-23(29-2)25(31-4)24(14-19)30-3/h5-6,12-14,16H,7-11,17H2,1-4H3/b20-16-.
What are the key properties of (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile?
(Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile has a molecular weight of 454.52 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[3-methoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 10917429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).