(Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid

C17H17NO3 — CID 68961559

IUPAC(Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid
SMILESCNc1cccc(-c2ccc(/C=C(\OC)C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-18-15-5-3-4-14(11-15)13-8-6-12(7-9-13)10-16(21-2)17(19)20/h3-11,18H,1-2H3,(H,19,20)/b16-10-
InChIKeyFBJMRHDKNMHQTP-YBEGLDIGSA-N
MW283.33 g/mol
LogP3.47
Rot. Bonds5

About (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid

(Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid (PubChem CID 68961559) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid
PubChem CID68961559
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid
SMILESCNc1cccc(-c2ccc(/C=C(\OC)C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO3/c1-18-15-5-3-4-14(11-15)13-8-6-12(7-9-13)10-16(21-2)17(19)20/h3-11,18H,1-2H3,(H,19,20)/b16-10-
InChIKeyFBJMRHDKNMHQTP-YBEGLDIGSA-N
XLogP3.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
ethyl (2E)-2-[[4-[3-(methylamino)phenyl]phenyl]methylidene]pentanoate
CID 68957414
(E)-2-methoxy-3-[4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]prop-2-enoic acid
CID 68959382
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
CID 87864699
3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
(E)-2-ethoxy-3-[4-[3-[methyl-[(4-methylphenyl)carbamoyl]amino]phenyl]phenyl]prop-2-enoic acid
CID 68958012
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
(E)-2-ethoxy-3-[4-[3-[hexylcarbamoyl(methyl)amino]phenyl]phenyl]prop-2-enoic acid
CID 68961394
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid (CID 68961559) is (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid is CNc1cccc(-c2ccc(/C=C(\OC)C(=O)O)cc2)c1.
What is the InChIKey of (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid?
The InChIKey is FBJMRHDKNMHQTP-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-15-5-3-4-14(11-15)13-8-6-12(7-9-13)10-16(21-2)17(19)20/h3-11,18H,1-2H3,(H,19,20)/b16-10-.
What are the key properties of (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid?
(Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 68961559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).