[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate

C17H16N2O3 — CID 19289952

IUPAC[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)O/N=C(\N)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3/c1-21-15-10-7-13(8-11-15)9-12-16(20)22-19-17(18)14-5-3-2-4-6-14/h2-12H,1H3,(H2,18,19)/b12-9+
InChIKeyALDIPSLTOXHYOJ-FMIVXFBMSA-N
MW296.33 g/mol
LogP2.57
Rot. Bonds5

About [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate

[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 19289952) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID19289952
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)O/N=C(\N)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3/c1-21-15-10-7-13(8-11-15)9-12-16(20)22-19-17(18)14-5-3-2-4-6-14/h2-12H,1H3,(H2,18,19)/b12-9+
InChIKeyALDIPSLTOXHYOJ-FMIVXFBMSA-N
XLogP2.57
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino-(4-nitrophenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19294239
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 3-phenylprop-2-enoate
CID 135503250
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
[(Z)-[amino(phenyl)methylidene]amino] (Z)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enoate
CID 19289978
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[(E)-[amino(pyridin-4-yl)methylidene]amino] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6152988
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
[(E)-[amino(phenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 40528949

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 19289952) is [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)O/N=C(\N)c2ccccc2)cc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is ALDIPSLTOXHYOJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-15-10-7-13(8-11-15)9-12-16(20)22-19-17(18)14-5-3-2-4-6-14/h2-12H,1H3,(H2,18,19)/b12-9+.
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate?
[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 296.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19289952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).