(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid

C20H23NO3 — CID 83951109

IUPAC(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCCN(CC)c1ccc(/C=C(\C(=O)O)c2ccccc2OC)cc1
InChIInChI=1S/C20H23NO3/c1-4-21(5-2)16-12-10-15(11-13-16)14-18(20(22)23)17-8-6-7-9-19(17)24-3/h6-14H,4-5H2,1-3H3,(H,22,23)/b18-14-
InChIKeyYIGORGWLRRQLCH-JXAWBTAJSA-N
MW325.41 g/mol
LogP4.17
Rot. Bonds7

About (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid

(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 83951109) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID83951109
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCCN(CC)c1ccc(/C=C(\C(=O)O)c2ccccc2OC)cc1
InChIInChI=1S/C20H23NO3/c1-4-21(5-2)16-12-10-15(11-13-16)14-18(20(22)23)17-8-6-7-9-19(17)24-3/h6-14H,4-5H2,1-3H3,(H,22,23)/b18-14-
InChIKeyYIGORGWLRRQLCH-JXAWBTAJSA-N
XLogP4.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)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

4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
CID 83955775
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 112720535
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
CID 83954614
(E)-3-[4-(diethylamino)phenyl]-2-sulfanylprop-2-enoic acid
CID 5381011
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
2-chloro-N-[(E)-1-[4-(diethylamino)phenyl]-3-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 6073997
(E)-2-(5-chlorothiophen-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enoic acid
CID 83951124
(Z)-3-(4-fluorophenyl)-2-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 83955702
(E)-3-[4-(diethylamino)phenyl]-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947842

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid (CID 83951109) is (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid is CCN(CC)c1ccc(/C=C(\C(=O)O)c2ccccc2OC)cc1.
What is the InChIKey of (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is YIGORGWLRRQLCH-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-21(5-2)16-12-10-15(11-13-16)14-18(20(22)23)17-8-6-7-9-19(17)24-3/h6-14H,4-5H2,1-3H3,(H,22,23)/b18-14-.
What are the key properties of (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid?
(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 325.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83951109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).