(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid

C17H17NO4 — CID 146079155

IUPAC(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(OC)cc2N)C(=O)O)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-6-3-11(4-7-13)15(17(19)20)9-12-5-8-14(22-2)10-16(12)18/h3-10H,18H2,1-2H3,(H,19,20)/b15-9-
InChIKeyWCBNETDPGYAMIC-DHDCSXOGSA-N
MW299.33 g/mol
LogP2.91
Rot. Bonds5

About (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid

(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 146079155) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID146079155
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(OC)cc2N)C(=O)O)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-6-3-11(4-7-13)15(17(19)20)9-12-5-8-14(22-2)10-16(12)18/h3-10H,18H2,1-2H3,(H,19,20)/b15-9-
InChIKeyWCBNETDPGYAMIC-DHDCSXOGSA-N
XLogP2.91
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182
(Z)-3-(4-chloro-2-nitrophenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 5372217
2-[(E)-2-carboxy-2-(4-methoxyphenyl)ethenyl]-N-hydroxy-4,5-dimethoxybenzeneamine oxide
CID 20835256
2-(2,2-dibromoethenyl)-5-methoxyaniline
CID 164872734
3-(2,5-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 145381862
(E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid
CID 162357081
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid (CID 146079155) is (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2ccc(OC)cc2N)C(=O)O)cc1.
What is the InChIKey of (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is WCBNETDPGYAMIC-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-13-6-3-11(4-7-13)15(17(19)20)9-12-5-8-14(22-2)10-16(12)18/h3-10H,18H2,1-2H3,(H,19,20)/b15-9-.
What are the key properties of (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 146079155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).