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

C17H19NO4 — CID 173177562

IUPACazane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCO/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)O.N
InChIInChI=1S/C17H16O4.H3N/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;/h2-11H,12H2,1H3,(H,18,19);1H3/b16-11-;
InChIKeyPRUGKXWLWYNRCG-MWVRIADDSA-N
MW301.34 g/mol
LogP3.50
Rot. Bonds6

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

azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid (PubChem CID 173177562) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nameazane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
PubChem CID173177562
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameazane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
SMILESCO/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)O.N
InChIInChI=1S/C17H16O4.H3N/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;/h2-11H,12H2,1H3,(H,18,19);1H3/b16-11-;
InChIKeyPRUGKXWLWYNRCG-MWVRIADDSA-N
XLogP3.50
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.50
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
ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177701
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
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
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
(Z)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 17370059
(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial
CID 11248500
ethyl 3-(4-phenylmethoxyphenyl)-2-propan-2-yloxyprop-2-enoate
CID 91601076
3-methyl-2-[(4-phenylmethoxyphenyl)methylidene]butanal
CID 79323761

Frequently Asked Questions

What is the IUPAC name of azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
The IUPAC name of azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid (CID 173177562) is azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid is CO/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)O.N.
What is the InChIKey of azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
The InChIKey is PRUGKXWLWYNRCG-MWVRIADDSA-N. The full InChI is InChI=1S/C17H16O4.H3N/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;/h2-11H,12H2,1H3,(H,18,19);1H3/b16-11-;.
What are the key properties of azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid?
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid has a molecular weight of 301.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 173177562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).