(Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid

C22H21N3O5 — CID 22243759

IUPAC(Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid
SMILESCCCc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C/OC)C(=O)O)n1
InChIInChI=1S/C22H21N3O5/c1-3-8-15-9-4-6-11-18(15)29-21-23-14-24-22(25-21)30-19-12-7-5-10-16(19)17(13-28-2)20(26)27/h4-7,9-14H,3,8H2,1-2H3,(H,26,27)/b17-13-
InChIKeyTTZSREAWKBPTIM-LGMDPLHJSA-N
MW407.43 g/mol
LogP4.48
Rot. Bonds9

About (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid

(Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid (PubChem CID 22243759) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid
PubChem CID22243759
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name(Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid
SMILESCCCc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C/OC)C(=O)O)n1
InChIInChI=1S/C22H21N3O5/c1-3-8-15-9-4-6-11-18(15)29-21-23-14-24-22(25-21)30-19-12-7-5-10-16(19)17(13-28-2)20(26)27/h4-7,9-14H,3,8H2,1-2H3,(H,26,27)/b17-13-
InChIKeyTTZSREAWKBPTIM-LGMDPLHJSA-N
XLogP4.48
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid 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

methyl 3-methoxy-2-[2-[(4-phenoxy-1,3,5-triazin-2-yl)oxy]phenyl]prop-2-enoate
CID 54201537
3-methoxy-2-(2-phenylmethoxyphenyl)prop-2-enoic acid
CID 54476802
(E)-2-[2-[3-(4,5-dimethylpyrimidin-2-yl)oxyphenoxy]phenyl]-3-methoxyprop-2-enoic acid
CID 172774964
(E)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoic acid
CID 22849200
methyl 2-[2-[[4-(diethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
CID 5085833
methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 138476265
2-[2-(3-formylphenoxy)phenyl]-3-methoxyprop-2-enoic acid
CID 173342076
2-[2-(acetylsulfanylmethyl)phenyl]-3-methoxyprop-2-enoic acid
CID 173376695
(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid
CID 22243719
(E)-2-[2-[(2,4-dibromophenoxy)methyl]phenyl]-3-methoxyprop-2-enoic acid
CID 141005541
3-methoxy-2-[2-(3-phenoxycarbonylphenoxy)phenyl]prop-2-enoic acid
CID 151245720
(E)-2-[2-[(2,4-difluoro-3-propoxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoic acid
CID 141288383

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid (CID 22243759) is (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid is CCCc1ccccc1Oc1ncnc(Oc2ccccc2/C(=C/OC)C(=O)O)n1.
What is the InChIKey of (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid?
The InChIKey is TTZSREAWKBPTIM-LGMDPLHJSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-3-8-15-9-4-6-11-18(15)29-21-23-14-24-22(25-21)30-19-12-7-5-10-16(19)17(13-28-2)20(26)27/h4-7,9-14H,3,8H2,1-2H3,(H,26,27)/b17-13-.
What are the key properties of (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid?
(Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid has a molecular weight of 407.43 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-2-[2-[[4-(2-propylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 22243759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).