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

C20H23NO4 — CID 20984254

IUPAC(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2cccc(OCCN(C)C)c2)C(=O)O)cc1
InChIInChI=1S/C20H23NO4/c1-21(2)11-12-25-18-6-4-5-15(13-18)14-19(20(22)23)16-7-9-17(24-3)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/b19-14-
InChIKeyLLGAOEAHGUZAFD-RGEXLXHISA-N
MW341.41 g/mol
LogP3.26
Rot. Bonds8

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

(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 20984254) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID20984254
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2cccc(OCCN(C)C)c2)C(=O)O)cc1
InChIInChI=1S/C20H23NO4/c1-21(2)11-12-25-18-6-4-5-15(13-18)14-19(20(22)23)16-7-9-17(24-3)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/b19-14-
InChIKeyLLGAOEAHGUZAFD-RGEXLXHISA-N
XLogP3.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(3,4-dimethoxyphenyl)-3-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoic acid
CID 22682522
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20984698
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 22680499

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid (CID 20984254) is (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2cccc(OCCN(C)C)c2)C(=O)O)cc1.
What is the InChIKey of (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is LLGAOEAHGUZAFD-RGEXLXHISA-N. The full InChI is InChI=1S/C20H23NO4/c1-21(2)11-12-25-18-6-4-5-15(13-18)14-19(20(22)23)16-7-9-17(24-3)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/b19-14-.
What are the key properties of (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 20984254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).