ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid

C19H23NO4 — CID 173177701

IUPACethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCCN.CO/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H16O4.C2H7N/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;1-2-3/h2-11H,12H2,1H3,(H,18,19);2-3H2,1H3/b16-11-;
InChIKeyXRKWGNDRSNQONZ-MWVRIADDSA-N
MW329.40 g/mol
LogP3.30
Rot. Bonds6

About ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid

ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid (PubChem CID 173177701) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nameethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
PubChem CID173177701
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCCN.CO/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H16O4.C2H7N/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;1-2-3/h2-11H,12H2,1H3,(H,18,19);2-3H2,1H3/b16-11-;
InChIKeyXRKWGNDRSNQONZ-MWVRIADDSA-N
XLogP3.30
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;N-propan-2-ylpropan-2-amine
CID 173177587
(Z)-2-hexoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 22557668
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
ethyl 3-(4-phenylmethoxyphenyl)-2-propan-2-yloxyprop-2-enoate
CID 91601076
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
CID 159805914
CID 159805914
2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enal
CID 54097134
2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;N-propan-2-ylpropan-2-amine
CID 173177588
2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380

Frequently Asked Questions

What is the IUPAC name of ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
The IUPAC name of ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid (CID 173177701) is ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid is CCN.CO/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
The InChIKey is XRKWGNDRSNQONZ-MWVRIADDSA-N. The full InChI is InChI=1S/C17H16O4.C2H7N/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;1-2-3/h2-11H,12H2,1H3,(H,18,19);2-3H2,1H3/b16-11-;.
What are the key properties of ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid has a molecular weight of 329.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 173177701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).