(E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

C19H20N2O4 — CID 10246618

IUPAC(E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(N)c(/C(=C/C#N)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H20N2O4/c1-22-13-5-6-16(21)15(11-13)14(7-8-20)12-9-17(23-2)19(25-4)18(10-12)24-3/h5-7,9-11H,21H2,1-4H3/b14-7+
InChIKeyIVNSBELOMKLMNI-VGOFMYFVSA-N
MW340.38 g/mol
LogP3.26
Rot. Bonds6

About (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

(E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile (PubChem CID 10246618) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
PubChem CID10246618
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(N)c(/C(=C/C#N)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H20N2O4/c1-22-13-5-6-16(21)15(11-13)14(7-8-20)12-9-17(23-2)19(25-4)18(10-12)24-3/h5-7,9-11H,21H2,1-4H3/b14-7+
InChIKeyIVNSBELOMKLMNI-VGOFMYFVSA-N
XLogP3.26
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-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

3-(4-amino-3-methoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enenitrile
CID 69202478
(Z)-3-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 69204300
(Z)-3-(3,5-dimethoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enenitrile
CID 56649669
methyl 2-amino-5-methoxybenzoate
CID 13052275
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
3-(3-amino-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enenitrile
CID 69204282
3-(3-ethoxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 70680959
3-(3,4-dimethoxyphenyl)-3-naphthalen-1-ylprop-2-enenitrile
CID 54525996
3-(2,3-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile
CID 69348718
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
CID 82076703
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile (CID 10246618) is (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is COc1ccc(N)c(/C(=C/C#N)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The InChIKey is IVNSBELOMKLMNI-VGOFMYFVSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-13-5-6-16(21)15(11-13)14(7-8-20)12-9-17(23-2)19(25-4)18(10-12)24-3/h5-7,9-11H,21H2,1-4H3/b14-7+.
What are the key properties of (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
(E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile has a molecular weight of 340.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-amino-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 10246618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).